<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema" xmlns:cc="http://www.xml-cml.org/dictionary/compchem/" xmlns:cml="http://www.xml-cml.org/schema" xmlns:cmlx="http://www.xml-cml.org/schema/cmlx" xmlns:compchem="http://www.xml-cml.org/dictionary/compchem/" xmlns:convention="http://www.xml-cml.org/convention/" xmlns:g="http://www.iochem-bd.org/dictionary/gaussian/" xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/" xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/" xmlns:si="http://www.xml-cml.org/unit/si/" xmlns:xi="http://www.w3.org/2001/XInclude" xmlns:xsd="http://www.w3.org/2001/XMLSchema" convention="convention:compchem" id="gaussian.log">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">Gaussian 16</scalar>
               </parameter>
               <parameter dictRef="cc:hostname">
                  <scalar dataType="xsd:string">GINC-ART</scalar>
               </parameter>
               <parameter dictRef="cc:jobname">
                  <scalar dataType="xsd:string">GMALLOCI</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">ceforanide opt6-31G**</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">ES64L-G16RevA.03</scalar>
               </parameter>
               <parameter dictRef="cc:run.date">
                  <scalar dataType="xsd:string">17-Oct-2021</scalar>
               </parameter>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">Gaussian 16</scalar>
               </parameter>
               <parameter dictRef="cc:program.date">
                  <scalar dataType="xsd:string">25-Dec-2016</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">ES64L-G16RevA.03</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:nactiveatoms">
                  <scalar dataType="xsd:integer">55</scalar>
               </parameter>
               <parameter dictRef="cc:natoms">
                  <scalar dataType="xsd:integer">55</scalar>
               </parameter>
               <parameter dictRef="cc:diffuse">
                  <scalar dataType="xsd:string">(6D, 7F)</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">6-31G(d,p)</scalar>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">RB3LYP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">6-31G(d,p)</scalar>
               </parameter>
               <parameter dictRef="g:operation">
                  <scalar dataType="xsd:string">FOpt</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">#N</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">B3LYP/6-31G(d,p)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">SCF(Conver=8)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">SCRF=(PCM,Solvent=Water)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Opt(Tight)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">NoSymm</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Int=UltraFine</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Freq=NoRaman</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">SCF=XQC</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Test</scalar>
               </parameter>
            </parameterList>
            <molecule cmlx:templateRef="mol" formalCharge="-1" id="zmat" spinMultiplicity="1">
               <atomArray>
                  <atom elementType="S" id="a1" x3="0.3578" y3="2.1374" z3="-2.3202"/>
                  <atom elementType="S" id="a2" x3="-3.5973" y3="-0.0319" z3="-0.6670"/>
                  <atom elementType="O" id="a3" x3="1.8392" y3="1.8040" z3="2.0738"/>
                  <atom elementType="O" id="a4" x3="-1.8194" y3="2.5622" z3="2.5458"/>
                  <atom elementType="O" id="a5" x3="4.6591" y3="1.4712" z3="0.7259"/>
                  <atom elementType="O" id="a6" x3="-1.2903" y3="0.3648" z3="2.1972"/>
                  <atom elementType="O" id="a7" x3="-4.8871" y3="-4.5983" z3="0.1236"/>
                  <atom elementType="O" id="a8" x3="-5.3603" y3="-2.8999" z3="1.5619"/>
                  <atom elementType="N" id="a9" x3="0.3440" y3="2.3298" z3="0.3278"/>
                  <atom elementType="N" id="a10" x3="3.0656" y3="1.7030" z3="-0.9450"/>
                  <atom elementType="N" id="a11" x3="-6.0371" y3="-1.2352" z3="-0.5839"/>
                  <atom elementType="N" id="a12" x3="-6.1229" y3="0.9048" z3="-0.2437"/>
                  <atom elementType="N" id="a13" x3="3.3391" y3="-3.0469" z3="-1.6278"/>
                  <atom elementType="N" id="a14" x3="-7.3354" y3="-0.9598" z3="-0.3972"/>
                  <atom elementType="N" id="a15" x3="-7.3818" y3="0.3504" z3="-0.1891"/>
                  <atom elementType="C" id="a16" x3="0.8528" y3="3.0373" z3="-0.8331"/>
                  <atom elementType="C" id="a17" x3="2.2627" y3="2.7303" z3="-0.2825"/>
                  <atom elementType="C" id="a18" x3="1.5193" y3="2.2176" z3="0.9839"/>
                  <atom elementType="C" id="a19" x3="-0.9596" y3="1.9865" z3="0.4910"/>
                  <atom elementType="C" id="a20" x3="-1.8336" y3="2.0166" z3="-0.5431"/>
                  <atom elementType="C" id="a21" x3="-1.4245" y3="2.3328" z3="-1.9800"/>
                  <atom elementType="C" id="a22" x3="-3.3112" y3="1.7290" z3="-0.4251"/>
                  <atom elementType="C" id="a23" x3="4.2139" y3="1.1530" z3="-0.3738"/>
                  <atom elementType="C" id="a24" x3="-1.3641" y3="1.5186" z3="1.8251"/>
                  <atom elementType="C" id="a25" x3="4.8552" y3="0.1130" z3="-1.2717"/>
                  <atom elementType="C" id="a26" x3="5.6252" y3="-0.9358" z3="-0.5137"/>
                  <atom elementType="C" id="a27" x3="4.9989" y3="-2.0989" z3="-0.0860"/>
                  <atom elementType="C" id="a28" x3="6.9713" y3="-0.7140" z3="-0.2537"/>
                  <atom elementType="C" id="a29" x3="-5.3556" y3="-0.0958" z3="-0.4834"/>
                  <atom elementType="C" id="a30" x3="3.5522" y3="-2.3495" z3="-0.3594"/>
                  <atom elementType="C" id="a31" x3="5.7314" y3="-3.0573" z3="0.6144"/>
                  <atom elementType="C" id="a32" x3="7.7039" y3="-1.6724" z3="0.4468"/>
                  <atom elementType="C" id="a33" x3="7.0839" y3="-2.8441" z3="0.8809"/>
                  <atom elementType="C" id="a34" x3="-5.6090" y3="-2.5870" z3="-0.8414"/>
                  <atom elementType="C" id="a35" x3="-5.2864" y3="-3.3355" z3="0.4227"/>
                  <atom elementType="H" id="a36" x3="2.81043" y3="1.35039" z3="-1.8564"/>
                  <atom elementType="H" id="a37" x3="3.36527" y3="-4.04447" z3="-1.47204"/>
                  <atom elementType="H" id="a38" x3="2.4392" y3="-2.78883" z3="-2.00685"/>
                  <atom elementType="H" id="a39" x3="4.06573" y3="-2.78883" z3="-2.28011"/>
                  <atom elementType="H" id="a40" x3="0.62808" y3="4.09663" z3="-0.95727"/>
                  <atom elementType="H" id="a41" x3="3.0673" y3="3.46495" z3="-0.31426"/>
                  <atom elementType="H" id="a42" x3="-1.68882" y3="3.38668" z3="-2.0670"/>
                  <atom elementType="H" id="a43" x3="-1.97795" y3="1.58358" z3="-2.5461"/>
                  <atom elementType="H" id="a44" x3="-3.74997" y3="2.28929" z3="-1.25072"/>
                  <atom elementType="H" id="a45" x3="-3.54581" y3="2.00135" z3="0.60392"/>
                  <atom elementType="H" id="a46" x3="4.03406" y3="-0.41425" z3="-1.75733"/>
                  <atom elementType="H" id="a47" x3="5.59188" y3="0.64602" z3="-1.87277"/>
                  <atom elementType="H" id="a48" x3="7.44855" y3="0.2041" z3="-0.59637"/>
                  <atom elementType="H" id="a49" x3="3.08451" y3="-1.3719" z3="-0.4763"/>
                  <atom elementType="H" id="a50" x3="3.2033" y3="-3.03134" z3="0.41614"/>
                  <atom elementType="H" id="a51" x3="5.24687" y3="-3.97291" z3="0.95349"/>
                  <atom elementType="H" id="a52" x3="8.76078" y3="-1.50573" z3="0.65496"/>
                  <atom elementType="H" id="a53" x3="7.65623" y3="-3.59302" z3="1.42831"/>
                  <atom elementType="H" id="a54" x3="-6.46933" y3="-3.08139" z3="-1.29252"/>
                  <atom elementType="H" id="a55" x3="-4.67856" y3="-2.49353" z3="-1.40144"/>
               </atomArray>
               <bondArray/>
               <formula concise="C20H20N7O6S2"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">498.3872999999997</scalar>
               </property>
               <list cmlx:templateRef="charge">
                  <list>
                     <scalar dataType="xsd:integer" dictRef="g:charge">-1</scalar>
                     <scalar dataType="xsd:integer" dictRef="g:mult">1</scalar>
                  </list>
               </list>
            <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3578,2.1374,-2.3202;-3.5973,-.0319,-.667;1.8392,1.804,2.0738;-1.8194,2.5622,2.5458;4.6591,1.4712,.7259;-1.2903,.3648,2.1972;-4.8871,-4.5983,.1236;-5.3603,-2.8999,1.5619;.344,2.3298,.3278;3.0656,1.703,-.945;-6.0371,-1.2352,-.5839;-6.1229,.9048,-.2437;3.3391,-3.0469,-1.6278;-7.3354,-.9598,-.3972;-7.3818,.3504,-.1891;.8528,3.0373,-.8331;2.2627,2.7303,-.2825;1.5193,2.2176,.9839;-.9596,1.9865,.491;-1.8336,2.0166,-.5431;-1.4245,2.3328,-1.98;-3.3112,1.729,-.4251;4.2139,1.153,-.3738;-1.3641,1.5186,1.8251;4.8552,.113,-1.2717;5.6252,-.9358,-.5137;4.9989,-2.0989,-.086;6.9713,-.714,-.2537;-5.3556,-.0958,-.4834;3.5522,-2.3495,-.3594;5.7314,-3.0573,.6144;7.7039,-1.6724,.4468;7.0839,-2.8441,.8809;-5.609,-2.587,-.8414;-5.2864,-3.3355,.4227;2.8104,1.3504,-1.8564;3.3653,-4.0445,-1.472;2.4392,-2.7888,-2.0069;4.0657,-2.7888,-2.2801;.6281,4.0966,-.9573;3.0673,3.4649,-.3143;-1.6888,3.3867,-2.067;-1.978,1.5836,-2.5461;-3.75,2.2893,-1.2507;-3.5458,2.0013,.6039;4.0341,-.4143,-1.7573;5.5919,.646,-1.8728;7.4486,.2041,-.5964;3.0845,-1.3719,-.4763;3.2033,-3.0313,.4161;5.2469,-3.9729,.9535;8.7608,-1.5057,.655;7.6562,-3.593,1.4283;-6.4693,-3.0814,-1.2925;-4.6786,-2.4935,-1.4014;</scalar>
</formula>
</molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="entering" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="g:link0">g16</scalar>
                  <array dataType="xsd:string" dictRef="g:command" size="1">Output=mol.log</array>
               </module>
               <module cmlx:templateRef="l1" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l1.end">
                     <array dataType="xsd:string" dictRef="g:kk" size="1">NProcShared=8</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">Mem=8Gb</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">Chk=mol</array>
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">#N B3LYP/6-31G(d,p) SCF(Conver=8) SCRF=(PCM,Solvent=Water) Opt(Tight)</scalar>
                     <list cmlx:templateRef="control">
                        <scalar dataType="xsd:string" dictRef="g:control">1/7=10,18=20,19=15,26=6,38=1/1,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/9=110,12=2,15=1,17=6,18=5,40=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">3/5=1,6=6,7=101,11=2,25=1,30=1,70=2201,71=1,72=1,74=-5,75=-5/1,2,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">4//1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">5/5=2,6=8,8=3,13=1,38=5,53=1/2,8</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">6/7=2,8=2,9=2,10=2,28=1/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">7/30=1/1,2,3,16</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">1/7=10,18=20,19=15,26=6/3(2)</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/9=110,15=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">99//99</scalar>
                     </list>
                     <list cmlx:templateRef="control">
                        <scalar dataType="xsd:string" dictRef="g:control">2/9=110,15=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">3/5=1,6=6,7=101,11=2,25=1,30=1,70=2205,71=1,72=1,74=-5,75=-5/1,2,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">4/5=5,16=3,69=1/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">5/5=2,6=8,8=3,13=1,38=5,53=1/2,8</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">7/30=1/1,2,3,16</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">1/7=10,18=20,19=15,26=6/3(-5)</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/9=110,15=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">6/7=2,8=2,9=2,10=2,19=2,28=1/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">99/9=1/99</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="l101" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l101.title">
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">ceforanide opt 6-31G**</scalar>
                  </module>
                  <list cmlx:templateRef="rest">
                     <scalar dataType="xsd:string" dictRef="x:l101"/>
                     <scalar dataType="xsd:string" dictRef="x:l101"/>
                  </list>
               </module>
               <module cmlx:templateRef="l103" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="berny">
                     <scalar dataType="xsd:string" dictRef="g:optimization">Berny optimization.</scalar>
                  </list>
                  <module cmlx:templateRef="l103.init">
                     <list cmlx:templateRef="length">
                        <array dataType="xsd:string" dictRef="g:symbol" size="58">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="58">1 1 2 2 3 4 5 6 7 8 9 9 9 10 10 10 11 11 11 12 12 13 13 13 13 14 16 16 17 17 19 19 20 20 21 21 22 22 23 25 25 25 26 26 27 27 28 28 30 30 31 31 32 32 33 34 34 34</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="58">16 21 22 29 18 24 23 24 35 35 16 18 19 17 23 36 14 29 34 15 29 30 37 38 39 15 17 40 18 41 20 24 21 22 42 43 44 45 25 26 46 47 27 28 30 31 32 48 49 50 33 51 33 52 53 35 54 55</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="58">1.8073 1.825 1.8003 1.769 1.2088 1.3475 1.2283 1.2146 1.3578 1.2219 1.4516 1.3507 1.3579 1.4625 1.3955 1.01 1.3403 1.3315 1.4412 1.3767 1.2835 1.4631 1.01 1.01 1.01 1.3274 1.5444 1.09 1.5554 1.09 1.3543 1.4705 1.5271 1.5099 1.09 1.09 1.09 1.09 1.5163 1.5058 1.09 1.09 1.3885 1.3888 1.4935 1.3949 1.395 1.09 1.09 1.09 1.3949 1.09 1.3949 1.09 1.09 1.5041 1.09 1.09</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="58">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2</array>
                     </list>
                     <list cmlx:templateRef="angle">
                        <array dataType="xsd:string" dictRef="g:symbol" size="101">A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="101">16 22 16 16 18 17 17 23 14 14 29 15 30 30 30 37 37 38 11 12 1 1 1 9 9 17 10 10 10 16 16 18 3 3 9 9 9 20 19 19 21 1 1 1 20 20 42 2 2 2 20 20 44 5 5 10 4 4 6 23 23 23 26 26 46 25 25 27 26 26 30 26 26 32 2 2 11 13 13 13 27 27 49 27 27 33 28 28 33 31 31 32 11 11 11 35 35 54 7 7 8</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="101">1 2 9 9 9 10 10 10 11 11 11 12 13 13 13 13 13 13 14 15 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 21 21 21 22 22 22 22 22 22 23 23 23 24 24 24 25 25 25 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 30 30 30 30 30 30 31 31 31 32 32 32 33 33 33 34 34 34 34 34 34 35 35 35</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="101">21 29 18 19 19 23 36 36 29 34 34 29 37 38 39 38 39 39 15 14 9 17 40 17 40 40 16 18 41 18 41 41 9 17 17 20 24 24 21 22 22 20 42 43 42 43 43 20 44 45 44 45 45 10 25 25 6 19 19 26 46 47 46 47 47 27 28 28 30 31 31 32 48 48 11 12 12 27 49 50 49 50 50 33 51 51 33 52 52 32 53 53 35 54 55 54 55 55 8 34 34</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="101">93.4849 100.3313 97.121 123.7685 139.1104 122.9003 121.0176 116.0821 108.027 120.357 131.616 103.8946 109.4709 109.4715 109.471 109.4714 109.4712 109.4714 104.9819 111.0575 108.6245 116.3852 109.4944 86.4443 119.5066 114.9615 118.6402 113.5579 93.152 85.3811 121.9722 126.7763 134.1587 136.0864 89.5993 121.4772 116.9724 121.4859 123.3795 124.5844 112.0321 114.5108 108.994 108.994 102.1421 102.1419 119.9999 109.3484 109.696 109.6964 103.6988 103.6985 119.9998 124.236 123.6797 112.0842 126.3269 109.3745 124.2986 113.3227 106.0806 106.0807 105.8183 105.8181 120.0004 120.5199 118.5963 120.8838 121.4057 119.5608 119.0335 119.5584 120.003 120.4386 122.1287 125.8323 112.039 112.3197 105.7856 105.7853 106.5453 106.5456 120.0 120.0064 119.9957 119.9979 119.9972 120.004 119.9988 119.9934 120.0032 120.0035 112.3544 105.3629 105.3632 106.9424 106.9422 120.0001 123.6921 109.9238 126.384</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="101">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2</array>
                     </list>
                     <list cmlx:templateRef="dihed">
                        <array dataType="xsd:string" dictRef="g:symbol" size="143">D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="143">21 21 21 16 16 16 29 29 29 22 22 18 18 18 19 19 19 16 16 19 19 16 16 18 18 23 23 23 36 36 36 17 17 36 36 29 34 14 14 34 34 14 14 14 29 29 29 29 15 15 37 37 37 38 38 38 39 39 39 11 1 1 1 9 9 9 40 40 40 10 10 16 16 41 41 9 9 24 24 9 9 20 20 19 19 19 22 22 22 19 19 19 21 21 21 5 5 5 10 10 10 23 23 46 46 47 47 25 25 28 28 25 25 27 27 26 26 26 31 31 31 26 26 30 30 26 26 48 48 27 27 51 51 28 28 52 52 11 11 54 54 55 55</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="143">1 1 1 1 1 1 2 2 2 2 2 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 13 13 13 13 13 13 13 13 13 14 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 20 20 20 23 23 23 23 23 23 25 25 25 25 25 25 26 26 26 26 26 26 26 26 27 27 27 27 27 27 27 27 27 27 28 28 28 28 31 31 31 31 32 32 32 32 34 34 34 34 34 34</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="143">16 16 16 21 21 21 22 22 22 29 29 16 16 16 16 16 16 18 18 18 18 19 19 19 19 17 17 17 17 17 17 23 23 23 23 14 14 29 29 29 29 34 34 34 34 34 34 15 29 29 30 30 30 30 30 30 30 30 30 15 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 20 20 20 20 24 24 24 24 21 21 21 21 21 21 22 22 22 22 22 22 25 25 25 25 25 25 26 26 26 26 26 26 27 27 27 27 28 28 28 28 30 30 30 30 30 30 31 31 31 31 32 32 32 32 33 33 33 33 33 33 33 33 35 35 35 35 35 35</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="143">9 17 40 20 42 43 20 44 45 11 12 1 17 40 1 17 40 3 17 3 17 20 24 20 24 16 18 41 16 18 41 5 25 5 25 15 15 2 12 2 12 35 54 55 35 54 55 14 2 11 27 49 50 27 49 50 27 49 50 12 10 18 41 10 18 41 10 18 41 3 9 3 9 3 9 21 22 21 22 4 6 4 6 1 42 43 1 42 43 2 44 45 2 44 45 26 46 47 26 46 47 27 28 27 28 27 28 30 31 30 31 32 48 32 48 13 49 50 13 49 50 33 51 33 51 33 52 33 52 32 53 32 53 31 53 31 53 7 8 7 8 7 8</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="143">60.9962 156.3974 -71.1214 -46.69 66.9773 -160.357 -179.999 -66.9019 66.904 -179.9306 0.0053 126.3286 9.6538 -107.1329 -53.602 -170.2768 72.9365 174.5829 -9.5666 -5.5052 170.3453 14.7754 -168.1037 -165.1194 12.0014 -166.0398 -68.1063 64.5911 13.9599 111.8934 -115.4092 0.0058 -179.8919 -179.9939 0.1084 -0.0172 -179.9725 179.9358 -0.0081 -0.1157 179.9403 -90.0528 26.0354 153.8591 90.004 -153.9078 -26.0841 -0.04 -179.9129 0.0286 89.0678 -155.0859 -26.7787 -150.932 -35.0857 93.2214 -30.9318 84.9145 -146.7783 0.0354 -3.0058 -117.3839 111.4973 106.0425 -8.3356 -139.4544 -132.9339 112.688 -18.4307 65.3548 -110.3528 -175.3463 8.9461 -48.2725 136.0198 4.5708 -176.2177 -172.4201 6.7914 92.8899 -87.1252 -89.9895 89.9954 18.9646 -98.6802 136.6092 -160.335 82.0202 -42.6904 -89.6574 153.3899 27.2955 89.6322 -27.3204 -153.4148 27.9327 143.6044 -87.7388 -152.169 -36.4973 92.1595 90.0222 -90.0029 -25.8049 154.1701 -154.1507 25.8242 -0.0141 179.987 -179.9885 0.0127 -179.9905 0.0098 -0.0156 179.9846 90.0029 -25.3841 -154.6102 -89.9983 154.6147 25.3886 -0.0018 179.9985 179.9994 -0.0003 0.0076 -179.9921 -179.9926 0.0077 -0.0061 179.9939 179.9937 -0.0064 0.0031 -179.9969 -179.9972 0.0029 -179.8745 0.0107 64.9917 -115.1231 -64.7406 115.1447</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="143">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="l301.basis" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">55</scalar>
                  <scalar dataType="xsd:double" dictRef="g:sfac">1.00e+00</scalar>
                  <scalar dataType="xsd:integer" dictRef="g:natfmm">60</scalar>
                  <scalar dataType="xsd:string" dictRef="g:big">F</scalar>
               </module>
               <module cmlx:templateRef="l103" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="berny">
                     <scalar dataType="xsd:string" dictRef="g:optimization">Berny optimization.</scalar>
                  </list>
                  <module cmlx:templateRef="l103.localminsaddle">
                     <scalar cmlx:templateRef="r" dataType="xsd:string" dictRef="cc:minmaxts">local minimum</scalar>
                     <array cmlx:templateRef="junk" dataType="xsd:string" dictRef="x:junk1" size="9">Step number 294 out of a maximum of 312</array>
                     <array cmlx:templateRef="junk" dataType="xsd:string" dictRef="x:junk1" size="7">All quantities printed in internal units (Hartrees-Bohrs-Radians)</array>
                     <array cmlx:templateRef="eigenvaluelist" dataType="xsd:double" dictRef="" size="159">0.00092 0.00163 0.00195 0.00278 0.00333 0.00370 0.00422 0.00491 0.00508 0.00631 0.00663 0.00701 0.00867 0.01070 0.01204 0.01511 0.01631 0.01720 0.01812 0.01835 0.01925 0.02051 0.02171 0.02200 0.02220 0.02295 0.02342 0.02501 0.02877 0.03022 0.03197 0.03466 0.03793 0.04084 0.04364 0.04821 0.04907 0.05071 0.05159 0.05312 0.05395 0.05615 0.05684 0.05880 0.05990 0.06180 0.06392 0.06895 0.07028 0.07232 0.07298 0.07650 0.08078 0.08269 0.09356 0.09769 0.10166 0.10633 0.11120 0.11971 0.12219 0.12602 0.12760 0.13004 0.13200 0.13753 0.13858 0.14528 0.15045 0.15358 0.15720 0.15839 0.15998 0.16059 0.18345 0.18428 0.19052 0.19727 0.20243 0.20668 0.21161 0.21564 0.21822 0.22245 0.22364 0.22559 0.23101 0.23110 0.23359 0.23668 0.23928 0.24005 0.24544 0.24801 0.25178 0.25458 0.25523 0.26398 0.26484 0.26960 0.27702 0.28267 0.28938 0.29447 0.30054 0.30518 0.31417 0.32024 0.32885 0.33486 0.34079 0.34266 0.34546 0.34688 0.34717 0.34756 0.34797 0.34816 0.34818 0.34870 0.34944 0.35017 0.35220 0.35427 0.35580 0.35783 0.36080 0.36422 0.37418 0.37767 0.38286 0.38822 0.39747 0.41384 0.42377 0.43788 0.44340 0.44759 0.45092 0.45825 0.45990 0.46358 0.46826 0.47330 0.47700 0.49528 0.50169 0.51942 0.52777 0.55679 0.59621 0.60983 0.63400 0.65077 0.67569 0.77792 0.79896 0.83649 0.94634</array>
                  </module>
                  <module cmlx:templateRef="rfo">
                     <list cmlx:templateRef="rfo">
                        <scalar dataType="xsd:double" dictRef="g:lambda">-1.32147918e-12</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.deltas">
                     <list cmlx:templateRef="delta">
                        <array dataType="xsd:string" dictRef="cc:variable" size="302">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143</array>
                        <array dataType="xsd:double" dictRef="g:lastval" size="302">3.46658 3.48498 3.53909 3.32629 2.28788 2.36740 2.31756 2.38332 2.36638 2.36995 2.75902 2.61883 2.65867 2.70785 2.58695 1.91019 2.55533 2.55431 2.75255 2.56107 2.51758 2.88029 1.93544 1.93628 1.93502 2.45157 2.95454 2.06418 2.93425 2.06266 2.55899 2.91631 2.86665 2.83899 2.07189 2.06900 2.06277 2.05206 2.89889 2.86461 2.06660 2.07022 2.66643 2.64611 2.85087 2.65049 2.63485 2.05204 2.05631 2.06085 2.63205 2.05426 2.63580 2.05136 2.05051 2.96454 2.05946 2.06785 1.63828 1.75284 1.66004 2.20708 2.33911 2.13235 2.07002 2.08082 1.88695 2.12022 2.27382 1.84876 1.93863 1.94197 1.95392 1.87691 1.87044 1.87828 1.86180 1.93910 1.93222 2.04179 1.91511 1.53720 1.97946 2.02993 2.10472 2.03832 1.88044 1.47950 1.95456 1.98504 2.33554 2.35389 1.59199 2.07439 2.02336 2.18382 2.18552 2.11722 1.98034 2.03926 1.89444 1.82521 1.92620 1.90827 1.86028 1.96303 1.85585 1.81108 1.95613 1.94938 1.92096 2.14387 2.13759 2.00159 2.24257 2.01234 2.02808 1.96694 1.92827 1.85454 1.95975 1.90072 1.84630 2.14283 2.07404 2.06596 2.13508 2.08986 2.05824 2.12137 2.07542 2.08639 2.16920 2.22615 1.88782 1.94019 1.84878 1.83766 1.98868 1.94953 1.89011 2.11367 2.08446 2.08502 2.09269 2.09100 2.09948 2.08273 2.09543 2.10499 1.99235 1.86354 1.88725 1.93034 1.89440 1.89339 2.26830 1.97725 2.03697 0.95225 2.67584 -1.24573 -0.76391 1.42695 -2.87574 -1.85145 0.29584 2.32207 2.52442 -0.62383 1.93781 -0.12532 -2.18388 -0.83721 -2.90033 1.32429 -2.95658 0.12615 -0.22749 2.85523 0.22210 -2.86153 -2.39997 0.79959 2.10600 -2.42558 -0.16689 -1.03505 0.71655 2.97525 -0.00264 -3.12698 3.13840 0.01407 0.02501 3.10238 3.11671 -0.01932 0.04693 -3.08911 -1.86722 0.27152 2.30586 1.19433 -2.95011 -0.91578 0.00986 -3.12961 0.00619 1.04582 -3.06851 -1.06818 3.13624 -0.97809 1.02223 -1.04441 1.12445 3.12477 -0.02166 0.21321 -1.84870 2.45335 2.17371 0.11181 -1.86933 -2.09759 2.12369 0.14255 0.83889 -2.24277 2.96388 -0.11778 -1.36900 1.83253 0.06288 -3.06210 3.14073 0.01575 0.53715 -2.62410 -2.54237 0.57957 0.33658 -1.83830 2.40404 -2.82049 1.28781 -0.75303 -1.52775 2.66543 0.50055 1.62864 -0.46137 -2.62625 0.60835 2.81643 -1.47197 -2.55043 -0.34234 1.65244 1.38038 -1.73200 -0.81075 2.36005 -2.84953 0.32127 0.03223 -3.10785 -3.13844 0.00466 3.12033 -0.02351 0.00665 -3.13719 1.78130 -0.30605 -2.45488 -1.36178 2.83405 0.68523 -0.01325 3.11907 3.12979 -0.02108 -0.00960 3.13793 3.13426 -0.00140 0.01036 -3.14020 -3.12195 0.01067 0.00101 -3.13156 3.13664 0.00407 2.91066 -0.26596 0.80882 -2.36780 -1.26639 1.84017</array>
                        <array dataType="xsd:double" dictRef="cc:deriv" size="302">0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000</array>
                        <array dataType="xsd:double" dictRef="cc:delta.linear" size="302">0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</array>
                        <array dataType="xsd:double" dictRef="cc:delta.quad" size="302">0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 0.00002 0.00002 0.00002 0.00002 0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000</array>
                        <array dataType="xsd:double" dictRef="cc:delta.total" size="302">0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 0.00002 0.00002 0.00002 0.00002 0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000</array>
                        <array dataType="xsd:double" dictRef="cc:newval" size="302">3.46658 3.48498 3.53909 3.32629 2.28788 2.36740 2.31756 2.38332 2.36638 2.36995 2.75902 2.61883 2.65867 2.70785 2.58695 1.91019 2.55533 2.55431 2.75255 2.56107 2.51758 2.88029 1.93544 1.93628 1.93502 2.45157 2.95454 2.06418 2.93425 2.06266 2.55899 2.91631 2.86665 2.83899 2.07189 2.06900 2.06277 2.05206 2.89889 2.86461 2.06660 2.07022 2.66643 2.64611 2.85087 2.65049 2.63485 2.05204 2.05631 2.06085 2.63205 2.05426 2.63580 2.05136 2.05051 2.96454 2.05946 2.06785 1.63828 1.75284 1.66004 2.20708 2.33911 2.13235 2.07002 2.08082 1.88695 2.12022 2.27382 1.84876 1.93862 1.94198 1.95392 1.87691 1.87044 1.87828 1.86180 1.93910 1.93222 2.04179 1.91511 1.53720 1.97946 2.02993 2.10472 2.03832 1.88044 1.47950 1.95456 1.98504 2.33554 2.35389 1.59199 2.07439 2.02336 2.18382 2.18552 2.11722 1.98034 2.03926 1.89444 1.82521 1.92620 1.90827 1.86028 1.96303 1.85585 1.81108 1.95613 1.94938 1.92096 2.14387 2.13759 2.00159 2.24257 2.01234 2.02808 1.96694 1.92827 1.85454 1.95975 1.90072 1.84630 2.14283 2.07404 2.06596 2.13508 2.08986 2.05824 2.12137 2.07542 2.08639 2.16920 2.22616 1.88782 1.94019 1.84878 1.83766 1.98868 1.94953 1.89011 2.11367 2.08446 2.08502 2.09269 2.09100 2.09948 2.08273 2.09543 2.10499 1.99235 1.86354 1.88725 1.93034 1.89440 1.89339 2.26830 1.97725 2.03697 0.95225 2.67584 -1.24573 -0.76391 1.42695 -2.87574 -1.85145 0.29584 2.32207 2.52442 -0.62383 1.93781 -0.12532 -2.18388 -0.83721 -2.90033 1.32429 -2.95658 0.12615 -0.22749 2.85523 0.22210 -2.86153 -2.39997 0.79959 2.10601 -2.42558 -0.16688 -1.03504 0.71656 2.97525 -0.00264 -3.12698 3.13840 0.01406 0.02501 3.10238 3.11671 -0.01932 0.04692 -3.08911 -1.86722 0.27153 2.30586 1.19434 -2.95011 -0.91577 0.00986 -3.12961 0.00619 1.04582 -3.06851 -1.06819 3.13623 -0.97809 1.02223 -1.04441 1.12445 3.12477 -0.02166 0.21321 -1.84870 2.45335 2.17371 0.11181 -1.86933 -2.09759 2.12369 0.14256 0.83889 -2.24277 2.96388 -0.11778 -1.36900 1.83252 0.06288 -3.06210 3.14073 0.01575 0.53715 -2.62411 -2.54237 0.57957 0.33658 -1.83830 2.40404 -2.82049 1.28781 -0.75303 -1.52775 2.66543 0.50055 1.62864 -0.46136 -2.62625 0.60837 2.81645 -1.47195 -2.55041 -0.34232 1.65246 1.38038 -1.73200 -0.81075 2.36005 -2.84953 0.32127 0.03224 -3.10785 -3.13844 0.00466 3.12033 -0.02351 0.00665 -3.13719 1.78130 -0.30606 -2.45488 -1.36178 2.83405 0.68523 -0.01325 3.11907 3.12979 -0.02108 -0.00960 3.13793 3.13426 -0.00140 0.01036 -3.14020 -3.12195 0.01067 0.00101 -3.13156 3.13664 0.00407 2.91066 -0.26596 0.80882 -2.36780 -1.26639 1.84017</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.itemconverge">
                     <list cmlx:templateRef="row">
                        <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">|Maximum Force|RMS     Force|Maximum Displacement|RMS     Displacement|</array>
                        <array dataType="xsd:double" dictRef="g:value" size="4">0.000000 0.000000 0.000116 0.000030</array>
                        <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000015 0.000010 0.000060 0.000040</array>
                        <array dataType="xsd:string" dictRef="g:converged" size="4">YES YES NO YES</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="preddelta">
                     <list cmlx:templateRef="predicted">
                        <scalar dataType="xsd:double" dictRef="g:predchange">-3.801829e-12</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.optimizedparam">
                     <list cmlx:templateRef="completed">
                        <scalar dataType="xsd:string" dictRef="g:optimization">Optimization completed on the basis of negligible forces.</scalar>
                        <scalar dataType="xsd:string" dictRef="g:optimization">-- Stationary point found.</scalar>
                     </list>
                     <list cmlx:templateRef="length">
                        <array dataType="xsd:string" dictRef="g:symbol" size="58">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="58">1 1 2 2 3 4 5 6 7 8 9 9 9 10 10 10 11 11 11 12 12 13 13 13 13 14 16 16 17 17 19 19 20 20 21 21 22 22 23 25 25 25 26 26 27 27 28 28 30 30 31 31 32 32 33 34 34 34</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="58">16 21 22 29 18 24 23 24 35 35 16 18 19 17 23 36 14 29 34 15 29 30 37 38 39 15 17 40 18 41 20 24 21 22 42 43 44 45 25 26 46 47 27 28 30 31 32 48 49 50 33 51 33 52 53 35 54 55</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="58">1.8344 1.8442 1.8728 1.7602 1.2107 1.2528 1.2264 1.2612 1.2522 1.2541 1.46 1.3858 1.4069 1.4329 1.369 1.0108 1.3522 1.3517 1.4566 1.3553 1.3322 1.5242 1.0242 1.0246 1.024 1.2973 1.5635 1.0923 1.5527 1.0915 1.3542 1.5432 1.517 1.5023 1.0964 1.0949 1.0916 1.0859 1.534 1.5159 1.0936 1.0955 1.411 1.4003 1.5086 1.4026 1.3943 1.0859 1.0882 1.0906 1.3928 1.0871 1.3948 1.0855 1.0851 1.5688 1.0898 1.0943</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="58">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0</array>
                     </list>
                     <list cmlx:templateRef="angle">
                        <array dataType="xsd:string" dictRef="g:symbol" size="101">A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="101">16 22 16 16 18 17 17 23 14 14 29 15 30 30 30 37 37 38 11 12 1 1 1 9 9 17 10 10 10 16 16 18 3 3 9 9 9 20 19 19 21 1 1 1 20 20 42 2 2 2 20 20 44 5 5 10 4 4 6 23 23 23 26 26 46 25 25 27 26 26 30 26 26 32 2 2 11 13 13 13 27 27 49 27 27 33 28 28 33 31 31 32 11 11 11 35 35 54 7 7 8</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="101">1 2 9 9 9 10 10 10 11 11 11 12 13 13 13 13 13 13 14 15 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 21 21 21 22 22 22 22 22 22 23 23 23 24 24 24 25 25 25 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 30 30 30 30 30 30 31 31 31 32 32 32 33 33 33 34 34 34 34 34 34 35 35 35</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="101">21 29 18 19 19 23 36 36 29 34 34 29 37 38 39 38 39 39 15 14 9 17 40 17 40 40 16 18 41 18 41 41 9 17 17 20 24 24 21 22 22 20 42 43 42 43 43 20 44 45 44 45 45 10 25 25 6 19 19 26 46 47 46 47 47 27 28 28 30 31 31 32 48 48 11 12 12 27 49 50 49 50 50 33 51 51 33 52 52 32 53 53 35 54 55 54 55 55 8 34 34</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="101">93.8667 100.4303 95.113 126.4565 134.0212 122.1744 118.6034 119.2221 108.1143 121.4799 130.2801 105.9263 111.075 111.267 111.9516 107.539 107.1684 107.6175 106.6734 111.1025 110.708 116.9858 109.7275 88.075 113.4144 116.3064 120.5916 116.7869 107.7413 84.7689 111.9881 113.7345 133.8164 134.8682 91.2144 118.8536 115.9299 125.1238 125.2211 121.3075 113.4654 116.841 108.5435 104.5769 110.3634 109.3356 106.5863 112.4736 106.3324 103.767 112.0783 111.6912 110.063 122.8349 122.4748 114.6826 128.4897 115.2984 116.2005 112.6973 110.4815 106.2571 112.2854 108.9033 105.785 122.7752 118.8338 118.3705 122.3313 119.7401 117.9285 121.5456 118.913 119.5413 124.2859 127.5493 108.164 111.1648 105.9272 105.29 113.943 111.6998 108.2954 121.1043 119.4308 119.4628 119.9024 119.8056 120.2911 119.3317 120.0594 120.6069 114.1532 106.7729 108.1315 110.6004 108.5411 108.4835 129.9642 113.2882 116.71</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="101">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0</array>
                     </list>
                     <list cmlx:templateRef="dihed">
                        <array dataType="xsd:string" dictRef="g:symbol" size="142">D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="142">21 21 21 16 16 16 29 29 29 22 22 18 18 18 19 19 19 16 16 19 19 16 16 18 18 23 23 23 36 36 36 17 17 36 36 29 34 14 14 34 34 14 14 14 29 29 29 29 15 15 37 37 37 38 38 38 39 39 39 11 1 1 1 9 9 9 40 40 40 10 10 16 16 41 41 9 9 24 24 9 9 20 20 19 19 19 22 22 22 19 19 19 21 21 21 5 5 5 10 10 10 23 23 46 46 47 47 25 25 28 28 25 25 27 27 26 26 26 31 31 31 26 26 30 30 26 26 48 48 27 27 51 51 28 28 52 52 11 11 54 54 55</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="142">1 1 1 1 1 1 2 2 2 2 2 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 13 13 13 13 13 13 13 13 13 14 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 20 20 20 23 23 23 23 23 23 25 25 25 25 25 25 26 26 26 26 26 26 26 26 27 27 27 27 27 27 27 27 27 27 28 28 28 28 31 31 31 31 32 32 32 32 34 34 34 34 34</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="142">16 16 16 21 21 21 22 22 22 29 29 16 16 16 16 16 16 18 18 18 18 19 19 19 19 17 17 17 17 17 17 23 23 23 23 14 14 29 29 29 29 34 34 34 34 34 34 15 29 29 30 30 30 30 30 30 30 30 30 15 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 20 20 20 20 24 24 24 24 21 21 21 21 21 21 22 22 22 22 22 22 25 25 25 25 25 25 26 26 26 26 26 26 27 27 27 27 28 28 28 28 30 30 30 30 30 30 31 31 31 31 32 32 32 32 33 33 33 33 33 33 33 33 35 35 35 35 35</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="142">9 17 40 20 42 43 20 44 45 11 12 1 17 40 1 17 40 3 17 3 17 20 24 20 24 16 18 41 16 18 41 5 25 5 25 15 15 2 12 2 12 35 54 55 35 54 55 14 2 11 27 49 50 27 49 50 27 49 50 12 10 18 41 10 18 41 10 18 41 3 9 3 9 3 9 21 22 21 22 4 6 4 6 1 42 43 1 42 43 2 44 45 2 44 45 26 46 47 26 46 47 27 28 27 28 27 28 30 31 30 31 32 48 32 48 13 49 50 13 49 50 33 51 33 51 33 52 33 52 32 53 32 53 31 53 31 53 7 8 7 8 7</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="142">54.5601 153.3143 -71.3752 -43.7691 81.7582 -164.7676 -106.0805 16.9503 133.0445 144.6387 -35.7429 111.0281 -7.1802 -125.1273 -47.9683 -166.1766 75.8763 -169.3994 7.2276 -13.0343 163.5927 12.7253 -163.9535 -137.5083 45.813 120.6651 -138.9756 -9.5619 -59.3039 41.0554 170.4691 -0.1515 -179.1629 179.8174 0.8059 1.4328 177.7531 178.5744 -1.1072 2.6886 -176.9929 -106.9837 15.557 132.1158 68.4302 -169.0291 -52.4703 0.5651 -179.3136 0.3545 59.9211 -175.8125 -61.2023 179.6931 -56.0405 58.5697 -59.8402 64.4262 179.0364 -1.2409 12.2158 -105.9226 140.5668 124.5445 6.4061 -107.1046 -120.1831 121.6784 8.1678 48.0648 -128.5011 169.8176 -6.7483 -78.4382 104.996 3.6026 -175.4454 179.9503 0.9023 30.7763 -150.3501 -145.6669 33.2067 19.2846 -105.327 137.7412 -161.6021 73.7863 -43.1455 -87.5336 152.7179 28.6792 93.3143 -26.4343 -150.473 34.856 161.3698 -84.3374 -146.1286 -19.6148 94.678 79.0899 -99.2365 -46.4527 135.2209 -163.2663 18.4073 1.8468 -178.0665 -179.8195 0.2672 178.7819 -1.347 0.3812 -179.7477 102.0608 -17.5356 -140.654 -78.0243 162.3792 39.2608 -0.7593 178.7094 179.3236 -1.2077 -0.5499 179.7901 179.5797 -0.0803 0.5938 -179.9203 -178.8746 0.6113 0.058 -179.425 179.7164 0.2334 166.7686 -15.2385 46.3422 -135.6649 -72.5589</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="142">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0</array>
                     </list>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="0.3578" y3="2.1374" z3="-2.3202">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-3.5973" y3="-0.0319" z3="-0.6670">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="1.8392" y3="1.8040" z3="2.0738">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.8194" y3="2.5622" z3="2.5458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.6591" y3="1.4712" z3="0.7259">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-1.2903" y3="0.3648" z3="2.1972">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-4.8871" y3="-4.5983" z3="0.1236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-5.3603" y3="-2.8999" z3="1.5619">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="0.3440" y3="2.3298" z3="0.3278">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="3.0656" y3="1.7030" z3="-0.9450">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-6.0371" y3="-1.2352" z3="-0.5839">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.1229" y3="0.9048" z3="-0.2437">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="3.3391" y3="-3.0469" z3="-1.6278">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-7.3354" y3="-0.9598" z3="-0.3972">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-7.3818" y3="0.3504" z3="-0.1891">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.8528" y3="3.0373" z3="-0.8331">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="2.2627" y3="2.7303" z3="-0.2825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="1.5193" y3="2.2176" z3="0.9839">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-0.9596" y3="1.9865" z3="0.4910">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-1.8336" y3="2.0166" z3="-0.5431">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.4245" y3="2.3328" z3="-1.9800">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.3112" y3="1.7290" z3="-0.4251">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="4.2139" y3="1.1530" z3="-0.3738">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-1.3641" y3="1.5186" z3="1.8251">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.8552" y3="0.1130" z3="-1.2717">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.6252" y3="-0.9358" z3="-0.5137">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="4.9989" y3="-2.0989" z3="-0.0860">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.9713" y3="-0.7140" z3="-0.2537">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.3556" y3="-0.0958" z3="-0.4834">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="3.5522" y3="-2.3495" z3="-0.3594">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="5.7314" y3="-3.0573" z3="0.6144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.7039" y3="-1.6724" z3="0.4468">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="7.0839" y3="-2.8441" z3="0.8809">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.6090" y3="-2.5870" z3="-0.8414">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-5.2864" y3="-3.3355" z3="0.4227">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="2.81043" y3="1.35039" z3="-1.8564">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.36527" y3="-4.04447" z3="-1.47204">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="2.4392" y3="-2.78883" z3="-2.00685">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.06573" y3="-2.78883" z3="-2.28011">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.62808" y3="4.09663" z3="-0.95727">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="3.0673" y3="3.46495" z3="-0.31426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.68882" y3="3.38668" z3="-2.0670">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-1.97795" y3="1.58358" z3="-2.5461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-3.74997" y3="2.28929" z3="-1.25072">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-3.54581" y3="2.00135" z3="0.60392">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="4.03406" y3="-0.41425" z3="-1.75733">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="5.59188" y3="0.64602" z3="-1.87277">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="7.44855" y3="0.2041" z3="-0.59637">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="3.08451" y3="-1.3719" z3="-0.4763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="3.2033" y3="-3.03134" z3="0.41614">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="5.24687" y3="-3.97291" z3="0.95349">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.76078" y3="-1.50573" z3="0.65496">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="7.65623" y3="-3.59302" z3="1.42831">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-6.46933" y3="-3.08139" z3="-1.29252">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.67856" y3="-2.49353" z3="-1.40144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3578,2.1374,-2.3202;-3.5973,-.0319,-.667;1.8392,1.804,2.0738;-1.8194,2.5622,2.5458;4.6591,1.4712,.7259;-1.2903,.3648,2.1972;-4.8871,-4.5983,.1236;-5.3603,-2.8999,1.5619;.344,2.3298,.3278;3.0656,1.703,-.945;-6.0371,-1.2352,-.5839;-6.1229,.9048,-.2437;3.3391,-3.0469,-1.6278;-7.3354,-.9598,-.3972;-7.3818,.3504,-.1891;.8528,3.0373,-.8331;2.2627,2.7303,-.2825;1.5193,2.2176,.9839;-.9596,1.9865,.491;-1.8336,2.0166,-.5431;-1.4245,2.3328,-1.98;-3.3112,1.729,-.4251;4.2139,1.153,-.3738;-1.3641,1.5186,1.8251;4.8552,.113,-1.2717;5.6252,-.9358,-.5137;4.9989,-2.0989,-.086;6.9713,-.714,-.2537;-5.3556,-.0958,-.4834;3.5522,-2.3495,-.3594;5.7314,-3.0573,.6144;7.7039,-1.6724,.4468;7.0839,-2.8441,.8809;-5.609,-2.587,-.8414;-5.2864,-3.3355,.4227;2.8104,1.3504,-1.8564;3.3653,-4.0445,-1.472;2.4392,-2.7888,-2.0069;4.0657,-2.7888,-2.2801;.6281,4.0966,-.9573;3.0673,3.4649,-.3143;-1.6888,3.3867,-2.067;-1.978,1.5836,-2.5461;-3.75,2.2893,-1.2507;-3.5458,2.0013,.6039;4.0341,-.4143,-1.7573;5.5919,.646,-1.8728;7.4486,.2041,-.5964;3.0845,-1.3719,-.4763;3.2033,-3.0313,.4161;5.2469,-3.9729,.9535;8.7608,-1.5057,.655;7.6562,-3.593,1.4283;-6.4693,-3.0814,-1.2925;-4.6786,-2.4935,-1.4014;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1632282 0.0469685 0.0409153</array>
                  </module>
               </module>
               <module cmlx:templateRef="l601.popanal" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="g:alphaocc" size="130">-19.07645 -19.05369 -19.04062 -14.47912 -14.43182 -14.40444 -14.39604 -14.39159 -14.37308 -14.35854 -10.30770 -10.30353 -10.28300 -10.27398 -10.26701 -10.25477 -10.25389 -10.25128 -10.22766 -10.22664 -10.22624 -10.22555 -10.21388 -10.21303 -10.21139 -10.20574 -10.20245 -10.20036 -10.19987 -10.19913 -7.96425 -7.94817 -5.92975 -5.92520 -5.91893 -5.91290 -5.91002 -5.90263 -1.13598 -1.06821 -1.04315 -1.04175 -1.01310 -1.00111 -0.99899 -0.95292 -0.93125 -0.89978 -0.88907 -0.88280 -0.87301 -0.84983 -0.81838 -0.80400 -0.79937 -0.79221 -0.75497 -0.73751 -0.72554 -0.71441 -0.69904 -0.67922 -0.66014 -0.63730 -0.63357 -0.62434 -0.61332 -0.60637 -0.60045 -0.58999 -0.58167 -0.56939 -0.54019 -0.53164 -0.51794 -0.51272 -0.50978 -0.50718 -0.49884 -0.48957 -0.48778 -0.48107 -0.46998 -0.46413 -0.45911 -0.45688 -0.45166 -0.44558 -0.44131 -0.43646 -0.42897 -0.42491 -0.42271 -0.42092 -0.41738 -0.41013 -0.40430 -0.39881 -0.39273 -0.38161 -0.37700 -0.37398 -0.37145 -0.36935 -0.35835 -0.35541 -0.35356 -0.35088 -0.34613 -0.34365 -0.34046 -0.32579 -0.31317 -0.31190 -0.30696 -0.29543 -0.29398 -0.27246 -0.26570 -0.25842 -0.25046 -0.24436 -0.24160 -0.23162 -0.22081 -0.21947 -0.21711 -0.20775 -0.18934 -0.18850</array>
                  <array dataType="xsd:double" dictRef="g:alphavirt" size="498">-0.03097 -0.02832 -0.01829 -0.01664 0.01141 0.01470 0.02055 0.03101 0.03165 0.04613 0.05639 0.06202 0.06872 0.06942 0.07991 0.08401 0.09642 0.09797 0.10131 0.10690 0.12149 0.12302 0.13063 0.13423 0.14115 0.14539 0.14886 0.15855 0.16136 0.16408 0.16721 0.17137 0.17582 0.17739 0.18388 0.18446 0.18817 0.19059 0.21002 0.21246 0.22410 0.22648 0.23765 0.24122 0.24649 0.25237 0.25835 0.26216 0.27682 0.28261 0.29247 0.30240 0.31308 0.31425 0.32493 0.32938 0.33702 0.33864 0.34022 0.34850 0.35912 0.36467 0.37193 0.37486 0.38613 0.39484 0.39724 0.41367 0.41860 0.43664 0.44257 0.44434 0.46391 0.46868 0.46932 0.48083 0.49141 0.49934 0.50437 0.50878 0.51343 0.52501 0.52790 0.53186 0.53510 0.53693 0.54538 0.54982 0.55694 0.55834 0.56348 0.56944 0.57949 0.58102 0.58575 0.58940 0.58946 0.59441 0.59628 0.60423 0.60538 0.61269 0.61315 0.61618 0.62544 0.62800 0.63117 0.63636 0.64052 0.64662 0.65326 0.65540 0.65977 0.66433 0.66951 0.67330 0.67622 0.68130 0.68942 0.69620 0.70477 0.70648 0.71622 0.72303 0.72909 0.73042 0.73446 0.75164 0.75628 0.76084 0.76286 0.76906 0.77079 0.77967 0.78129 0.78726 0.79046 0.79229 0.80188 0.80540 0.80919 0.81151 0.81960 0.82376 0.82683 0.84030 0.84269 0.84715 0.85069 0.85400 0.85878 0.86540 0.86710 0.86933 0.87764 0.88032 0.88146 0.88796 0.88917 0.89103 0.89500 0.90041 0.90474 0.90833 0.91155 0.92485 0.92587 0.93072 0.93740 0.94067 0.94542 0.95285 0.95924 0.96871 0.97292 0.98003 0.98155 0.98875 0.99392 0.99755 1.00546 1.00894 1.01360 1.02253 1.03430 1.03703 1.04301 1.04488 1.04790 1.05937 1.06191 1.06285 1.08107 1.08818 1.08935 1.10183 1.10883 1.11136 1.12549 1.12864 1.13384 1.14073 1.14190 1.14636 1.15201 1.15340 1.17597 1.18470 1.18578 1.19056 1.22318 1.22843 1.24147 1.25507 1.26173 1.27893 1.29011 1.29463 1.30085 1.31240 1.32910 1.33836 1.34303 1.34598 1.35486 1.36172 1.37211 1.38970 1.39966 1.40497 1.40787 1.41330 1.41702 1.42385 1.43149 1.45895 1.48309 1.49178 1.49702 1.50423 1.50911 1.52508 1.53847 1.55525 1.55783 1.58037 1.58876 1.59662 1.60048 1.60639 1.61622 1.62836 1.64983 1.65346 1.68561 1.68925 1.70741 1.71849 1.72023 1.72415 1.73481 1.74380 1.75130 1.76066 1.76548 1.76660 1.77217 1.77486 1.78230 1.78765 1.79217 1.80934 1.81320 1.81599 1.82065 1.82654 1.82907 1.83795 1.83989 1.85887 1.85992 1.86813 1.87221 1.87367 1.87813 1.88408 1.88964 1.89143 1.89524 1.90291 1.90716 1.91644 1.92122 1.93115 1.93442 1.93897 1.94772 1.95324 1.95883 1.96328 1.96658 1.97218 1.97501 1.97872 1.98443 1.98624 1.98788 1.99109 1.99338 2.00999 2.01690 2.02538 2.04205 2.05050 2.05799 2.05876 2.06259 2.07728 2.08541 2.09068 2.09687 2.10274 2.11468 2.12107 2.12740 2.13827 2.14632 2.15576 2.16457 2.17343 2.18000 2.18216 2.19532 2.20161 2.20307 2.21078 2.22090 2.22488 2.23038 2.25365 2.26298 2.27016 2.27723 2.27965 2.28695 2.29614 2.30295 2.30443 2.32060 2.32391 2.32920 2.33945 2.35327 2.36577 2.37112 2.37482 2.38234 2.38496 2.38912 2.39725 2.40694 2.40935 2.41537 2.42017 2.42628 2.43092 2.43952 2.44285 2.45119 2.46176 2.47028 2.47937 2.48304 2.50444 2.50980 2.52317 2.53401 2.54633 2.55216 2.56573 2.57177 2.58054 2.58418 2.58825 2.59476 2.59705 2.59887 2.61233 2.62414 2.64332 2.64539 2.65328 2.65618 2.66302 2.67598 2.67961 2.68685 2.69333 2.70177 2.70517 2.72009 2.72653 2.73002 2.73807 2.74225 2.75513 2.76206 2.76611 2.77118 2.78795 2.79521 2.80746 2.81516 2.82397 2.82605 2.83197 2.83961 2.88065 2.89630 2.91255 2.92050 2.93788 2.94310 2.94695 2.94779 2.96781 2.97023 3.00062 3.02887 3.03185 3.04519 3.04655 3.05799 3.07947 3.10718 3.14035 3.15592 3.16865 3.17978 3.18858 3.19499 3.22349 3.23160 3.27494 3.29453 3.30511 3.31280 3.33047 3.33640 3.34581 3.38927 3.39385 3.40108 3.40865 3.41367 3.41641 3.42545 3.42680 3.45776 3.46458 3.48362 3.52101 3.52683 3.69569 3.85257 3.85702 3.92354 3.94704 3.95089 4.02617 4.05966 4.08530 4.12470 4.13308 4.15102 4.16111 4.17934 4.18076 4.20372 4.21878 4.22943 4.25749 4.29508 4.37322 4.38625 4.40626 4.42666 4.48146 4.49467 4.52496 4.52812 4.56762 4.64092 4.67838 4.73053 4.76680 4.84852 4.96119</array>
                  <list cmlx:templateRef="multipole" dictRef="cc:multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">49.5886 -4.0227 -28.5799</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">57.3762</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-347.7429 -239.2740 -241.0761</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-113.4914 5.3589 3.9919</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-71.7119 36.7570 34.9549 -113.4914 5.3589 3.9919</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">1642.7683 115.0638 -41.3114 575.6253 71.2028 -273.2099 123.7931 -103.0765 -137.1403 -21.7567</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-31043.5704 -6709.5422 -2248.0077 -2349.9590 319.4375 -2033.5376 258.3651 9.8587 118.4513 -6308.1822 -4631.4506 -1418.4533 321.6684 159.9174 -185.7800</array>
                  </list>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="0.356396" y3="2.204343" z3="-2.336904">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-3.621434" y3="0.002243" z3="-0.675758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="1.827057" y3="1.793016" z3="2.091341">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.855511" y3="2.51921" z3="2.58161">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.651401" y3="1.469377" z3="0.68405">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-1.320401" y3="0.340309" z3="2.191079">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-4.945434" y3="-4.58109" z3="0.037133">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-5.386004" y3="-2.89356" z3="1.499772">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="0.335317" y3="2.348793" z3="0.33936">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="3.054611" y3="1.712954" z3="-0.947421">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-6.077449" y3="-1.205537" z3="-0.601641">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.175617" y3="0.925437" z3="-0.205695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="3.395077" y3="-3.24876" z3="-1.558512">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-7.374209" y3="-0.910805" z3="-0.389752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-7.43449" y3="0.380408" z3="-0.150264">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.867957" y3="3.059431" z3="-0.814673">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="2.278746" y3="2.754264" z3="-0.253012">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="1.523463" y3="2.219534" z3="1.000131">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-0.984674" y3="2.003896" z3="0.507315">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-1.843758" y3="2.059956" z3="-0.538741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.428531" y3="2.409082" z3="-1.978679">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.325535" y3="1.775325" z3="-0.398637">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="4.192583" y3="1.149089" z3="-0.407023">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-1.400666" y3="1.519405" z3="1.860376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.829387" y3="0.10179" z3="-1.321481">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.620616" y3="-0.938556" z3="-0.545474">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="5.045409" y3="-2.130448" z3="-0.0717">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.970376" y3="-0.67929" z3="-0.30217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.379114" y3="-0.068705" z3="-0.480918">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="3.592602" y3="-2.481563" z3="-0.28968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="5.840428" y3="-3.040766" z3="0.636671">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.753168" y3="-1.592643" z3="0.404095">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="7.187707" y3="-2.776028" z3="0.874346">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.655927" y3="-2.56832" z3="-0.894251">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-5.316288" y3="-3.35914" z3="0.362305">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="2.771308" y3="1.381609" z3="-1.858988">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.500869" y3="-4.246431" z3="-1.39293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="2.4639" y3="-3.083889" z3="-1.933496">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.079255" y3="-2.967413" z3="-2.256897">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.637709" y3="4.121661" z3="-0.901732">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="3.049457" y3="3.528537" z3="-0.235663">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.684415" y3="3.464261" z3="-2.098917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-1.968889" y3="1.698306" z3="-2.604295">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-3.815667" y3="2.344266" z3="-1.18902">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-3.584777" y3="2.027249" z3="0.630024">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="4.015444" y3="-0.4055" z3="-1.835678">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="5.544992" y3="0.637054" z3="-1.947816">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="7.412534" y3="0.244065" z3="-0.669214">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="3.030742" y3="-1.557166" z3="-0.400474">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="3.296199" y3="-3.148668" z3="0.5184">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="5.40139" y3="-3.964913" z3="1.007608">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.804357" y3="-1.381455" z3="0.587913">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="7.794726" y3="-3.490287" z3="1.425993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-6.513981" y3="-3.049098" z3="-1.361609">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.740763" y3="-2.488053" z3="-1.481066">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3564,2.2043,-2.3369;-3.6214,.0022,-.6758;1.8271,1.793,2.0913;-1.8555,2.5192,2.5816;4.6514,1.4694,.6841;-1.3204,.3403,2.1911;-4.9454,-4.5811,.0371;-5.386,-2.8936,1.4998;.3353,2.3488,.3394;3.0546,1.713,-.9474;-6.0774,-1.2055,-.6016;-6.1756,.9254,-.2057;3.3951,-3.2488,-1.5585;-7.3742,-.9108,-.3898;-7.4345,.3804,-.1503;.868,3.0594,-.8147;2.2787,2.7543,-.253;1.5235,2.2195,1.0001;-.9847,2.0039,.5073;-1.8438,2.06,-.5387;-1.4285,2.4091,-1.9787;-3.3255,1.7753,-.3986;4.1926,1.1491,-.407;-1.4007,1.5194,1.8604;4.8294,.1018,-1.3215;5.6206,-.9386,-.5455;5.0454,-2.1304,-.0717;6.9704,-.6793,-.3022;-5.3791,-.0687,-.4809;3.5926,-2.4816,-.2897;5.8404,-3.0408,.6367;7.7532,-1.5926,.4041;7.1877,-2.776,.8743;-5.6559,-2.5683,-.8943;-5.3163,-3.3591,.3623;2.7713,1.3816,-1.859;3.5009,-4.2464,-1.3929;2.4639,-3.0839,-1.9335;4.0793,-2.9674,-2.2569;.6377,4.1217,-.9017;3.0495,3.5285,-.2357;-1.6844,3.4643,-2.0989;-1.9689,1.6983,-2.6043;-3.8157,2.3443,-1.189;-3.5848,2.0272,.63;4.0154,-.4055,-1.8357;5.545,.6371,-1.9478;7.4125,.2441,-.6692;3.0307,-1.5572,-.4005;3.2962,-3.1487,.5184;5.4014,-3.9649,1.0076;8.8044,-1.3815,.5879;7.7947,-3.4903,1.426;-6.514,-3.0491,-1.3616;-4.7408,-2.4881,-1.4811;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1610225 0.0464042 0.0403732</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="0.286464" y3="2.244218" z3="-2.381893">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-3.675547" y3="0.025345" z3="-0.659344">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="1.841921" y3="1.727731" z3="2.083139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.795476" y3="2.41267" z3="2.708972">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.724668" y3="1.503156" z3="0.50581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-1.226961" y3="0.288777" z3="2.2081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-5.068003" y3="-4.547819" z3="-0.280926">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-5.439034" y3="-2.937731" z3="1.254142">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="0.340984" y3="2.321392" z3="0.341599">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="3.023543" y3="1.625383" z3="-0.981387">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-6.171957" y3="-1.131085" z3="-0.677791">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.220982" y3="0.96463" z3="-0.069799">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="3.441655" y3="-3.415819" z3="-1.313655">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-7.460022" y3="-0.833382" z3="-0.411014">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-7.461431" y3="0.405922" z3="-0.058806">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.902073" y3="2.998562" z3="-0.82199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="2.323282" y3="2.697512" z3="-0.261473">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="1.557489" y3="2.152068" z3="0.985625">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-0.999182" y3="1.986076" z3="0.556182">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-1.859451" y3="2.085739" z3="-0.484959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.48674" y3="2.487814" z3="-1.914666">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.330484" y3="1.812799" z3="-0.273364">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="4.180878" y3="1.101019" z3="-0.517045">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-1.38271" y3="1.506904" z3="1.972732">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.783048" y3="-0.003922" z3="-1.420229">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.663238" y3="-0.953769" z3="-0.620635">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="5.154295" y3="-2.112744" z3="-0.004022">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="7.025744" y3="-0.661891" z3="-0.462366">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.420611" y3="-0.022094" z3="-0.45866">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="3.686533" y3="-2.488566" z3="-0.113791">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="6.009947" y3="-2.937675" z3="0.744336">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.871708" y3="-1.487973" z3="0.277262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="7.362354" y3="-2.636083" z3="0.885755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.772336" y3="-2.48546" z3="-1.090445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-5.387488" y3="-3.426079" z3="0.104731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="2.643306" y3="1.294351" z3="-1.8571">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.58888" y3="-4.402109" z3="-1.069338">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="2.480424" y3="-3.336625" z3="-1.66799">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.073901" y3="-3.208801" z3="-2.095058">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.65853" y3="4.062788" z3="-0.827368">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.975601" y3="3.56402" z3="-0.131598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.742171" y3="3.533472" z3="-2.115396">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.036558" y3="1.870412" z3="-2.628277">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-3.943746" y3="2.407224" z3="-0.952036">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-3.632481" y3="2.011893" z3="0.753578">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.972404" y3="-0.531293" z3="-1.929237">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="5.389609" y3="0.490153" z3="-2.183232">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="7.42656" y3="0.231315" z3="-0.929725">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="3.040088" y3="-1.627362" z3="-0.262781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="3.368541" y3="-3.0429" z3="0.763887">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="5.607659" y3="-3.824502" z3="1.225218">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.921377" y3="-1.234119" z3="0.379767">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="8.006711" y3="-3.285858" z3="1.467284">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-6.617326" y3="-2.908332" z3="-1.629627">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.911067" y3="-2.392566" z3="-1.751752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2865,2.2442,-2.3819;-3.6755,.0253,-.6593;1.8419,1.7277,2.0831;-1.7955,2.4127,2.709;4.7247,1.5032,.5058;-1.227,.2888,2.2081;-5.068,-4.5478,-.2809;-5.439,-2.9377,1.2541;.341,2.3214,.3416;3.0235,1.6254,-.9814;-6.172,-1.1311,-.6778;-6.221,.9646,-.0698;3.4417,-3.4158,-1.3137;-7.46,-.8334,-.411;-7.4614,.4059,-.0588;.9021,2.9986,-.822;2.3233,2.6975,-.2615;1.5575,2.1521,.9856;-.9992,1.9861,.5562;-1.8595,2.0857,-.485;-1.4867,2.4878,-1.9147;-3.3305,1.8128,-.2734;4.1809,1.101,-.517;-1.3827,1.5069,1.9727;4.783,-.0039,-1.4202;5.6632,-.9538,-.6206;5.1543,-2.1127,-.004;7.0257,-.6619,-.4624;-5.4206,-.0221,-.4587;3.6865,-2.4886,-.1138;6.0099,-2.9377,.7443;7.8717,-1.488,.2773;7.3624,-2.6361,.8858;-5.7723,-2.4855,-1.0904;-5.3875,-3.4261,.1047;2.6433,1.2944,-1.8571;3.5889,-4.4021,-1.0693;2.4804,-3.3366,-1.668;4.0739,-3.2088,-2.0951;.6585,4.0628,-.8274;2.9756,3.564,-.1316;-1.7422,3.5335,-2.1154;-2.0366,1.8704,-2.6283;-3.9437,2.4072,-.952;-3.6325,2.0119,.7536;3.9724,-.5313,-1.9292;5.3896,.4902,-2.1832;7.4266,.2313,-.9297;3.0401,-1.6274,-.2628;3.3685,-3.0429,.7639;5.6077,-3.8245,1.2252;8.9214,-1.2341,.3798;8.0067,-3.2859,1.4673;-6.6173,-2.9083,-1.6296;-4.9111,-2.3926,-1.7518;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1619830 0.0453325 0.0396695</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="0.191853" y3="2.141569" z3="-2.345309">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-3.813027" y3="0.045684" z3="-0.619386">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="1.794454" y3="1.596741" z3="2.102987">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.889839" y3="2.369294" z3="2.77545">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.767859" y3="1.499347" z3="0.424637">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-1.324689" y3="0.23315" z3="2.234059">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-5.462328" y3="-4.47697" z3="-0.543854">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-5.732884" y3="-2.883957" z3="1.064829">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="0.284979" y3="2.23452" z3="0.381245">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.963042" y3="1.477196" z3="-0.956126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-6.362243" y3="-0.946423" z3="-0.79325">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.31911" y3="1.099593" z3="-0.051068">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="3.680773" y3="-3.600619" z3="-1.042362">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-7.633036" y3="-0.564362" z3="-0.531219">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-7.603159" y3="0.654178" z3="-0.09813">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.852701" y3="2.877173" z3="-0.79919">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="2.269681" y3="2.546273" z3="-0.248813">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="1.501521" y3="2.025832" z3="1.009955">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.057668" y3="1.93015" z3="0.605347">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-1.929379" y3="2.049689" z3="-0.424794">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.566605" y3="2.437707" z3="-1.847295">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.396913" y3="1.814404" z3="-0.195587">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="4.180635" y3="1.031836" z3="-0.546668">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-1.434419" y3="1.463997" z3="2.033194">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.782954" y3="-0.080164" z3="-1.432893">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.769198" y3="-0.946283" z3="-0.673756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="5.38926" y3="-2.10551" z3="0.034778">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="7.114916" y3="-0.560434" z3="-0.644136">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.560428" y3="0.092973" z3="-0.480717">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="3.959131" y3="-2.591274" z3="0.076523">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="6.353188" y3="-2.837481" z3="0.742368">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.068997" y3="-1.296175" z3="0.055869">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="7.688444" y3="-2.443462" z3="0.753934">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-6.033529" y3="-2.29423" z3="-1.25951">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-5.70642" y3="-3.321555" z3="-0.108622">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="2.545739" y3="1.103797" z3="-1.797358">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.957226" y3="-4.548339" z3="-0.770064">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="2.685412" y3="-3.635103" z3="-1.284292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.199772" y3="-3.372937" z3="-1.895472">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.644912" y3="3.949694" z3="-0.813739">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.921656" y3="3.40968" z3="-0.107718">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.802612" y3="3.488156" z3="-2.048725">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.150343" y3="1.839159" z3="-2.55303">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.010372" y3="2.44486" z3="-0.84264">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-3.678847" y3="1.994347" z3="0.841231">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.979585" y3="-0.662236" z3="-1.890521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="5.304415" y3="0.417688" z3="-2.256184">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="7.416003" y3="0.333502" z3="-1.182348">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="3.224898" y3="-1.798106" z3="-0.042387">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="3.751987" y3="-3.122202" z3="1.003715">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="6.048762" y3="-3.722516" z3="1.294542">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="9.104874" y3="-0.971822" z3="0.057784">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="8.420643" y3="-3.022732" z3="1.306697">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-6.889304" y3="-2.641873" z3="-1.838377">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-5.170664" y3="-2.218634" z3="-1.924261">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1919,2.1416,-2.3453;-3.813,.0457,-.6194;1.7945,1.5967,2.103;-1.8898,2.3693,2.7755;4.7679,1.4993,.4246;-1.3247,.2331,2.2341;-5.4623,-4.477,-.5439;-5.7329,-2.884,1.0648;.285,2.2345,.3812;2.963,1.4772,-.9561;-6.3622,-.9464,-.7933;-6.3191,1.0996,-.0511;3.6808,-3.6006,-1.0424;-7.633,-.5644,-.5312;-7.6032,.6542,-.0981;.8527,2.8772,-.7992;2.2697,2.5463,-.2488;1.5015,2.0258,1.01;-1.0577,1.9302,.6053;-1.9294,2.0497,-.4248;-1.5666,2.4377,-1.8473;-3.3969,1.8144,-.1956;4.1806,1.0318,-.5467;-1.4344,1.464,2.0332;4.783,-.0802,-1.4329;5.7692,-.9463,-.6738;5.3893,-2.1055,.0348;7.1149,-.5604,-.6441;-5.5604,.093,-.4807;3.9591,-2.5913,.0765;6.3532,-2.8375,.7424;8.069,-1.2962,.0559;7.6884,-2.4435,.7539;-6.0335,-2.2942,-1.2595;-5.7064,-3.3216,-.1086;2.5457,1.1038,-1.7974;3.9572,-4.5483,-.7701;2.6854,-3.6351,-1.2843;4.1998,-3.3729,-1.8955;.6449,3.9497,-.8137;2.9217,3.4097,-.1077;-1.8026,3.4882,-2.0487;-2.1503,1.8392,-2.553;-4.0104,2.4449,-.8426;-3.6788,1.9943,.8412;3.9796,-.6622,-1.8905;5.3044,.4177,-2.2562;7.416,.3335,-1.1823;3.2249,-1.7981,-.0424;3.752,-3.1222,1.0037;6.0488,-3.7225,1.2945;9.1049,-.9718,.0578;8.4206,-3.0227,1.3067;-6.8893,-2.6419,-1.8384;-5.1707,-2.2186,-1.9243;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1685946 0.0428283 0.0380458</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="0.102328" y3="2.009748" z3="-2.285609">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-3.932417" y3="0.043671" z3="-0.527956">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="1.74444" y3="1.495686" z3="2.141572">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.759379" y3="2.392469" z3="2.906535">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.790574" y3="1.510885" z3="0.326715">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-1.177996" y3="0.260781" z3="2.369909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-5.732503" y3="-4.363103" z3="-0.819251">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-5.971593" y3="-2.818784" z3="0.849945">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="0.225613" y3="2.171523" z3="0.438791">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.893051" y3="1.328528" z3="-0.914886">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-6.508495" y3="-0.794621" z3="-0.939166">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.412461" y3="1.192233" z3="-0.057118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="3.861174" y3="-3.727659" z3="-0.758487">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-7.776515" y3="-0.368036" z3="-0.734656">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-7.711219" y3="0.820367" z3="-0.21869">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.798967" y3="2.762344" z3="-0.768089">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="2.2108" y3="2.403486" z3="-0.225515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="1.441919" y3="1.927923" z3="1.052224">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.118626" y3="1.895511" z3="0.676283">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.000317" y3="2.011369" z3="-0.346142">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.642594" y3="2.358564" z3="-1.773167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.46394" y3="1.802592" z3="-0.098105">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="4.164117" y3="0.966633" z3="-0.578229">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-1.49225" y3="1.445395" z3="2.112852">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.759631" y3="-0.156077" z3="-1.445874">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.834377" y3="-0.946277" z3="-0.731478">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="5.56893" y3="-2.081385" z3="0.068241">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="7.157614" y3="-0.502939" z3="-0.838838">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.67972" y3="0.174118" z3="-0.501942">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="4.181168" y3="-2.632898" z3="0.263155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="6.622973" y3="-2.731505" z3="0.725436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.199891" y3="-1.159445" z3="-0.187906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="7.934052" y3="-2.280769" z3="0.598568">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-6.213758" y3="-2.123488" z3="-1.453856">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-5.971727" y3="-3.212597" z3="-0.338897">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="2.433569" y3="0.891383" z3="-1.702069">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="4.247902" y3="-4.628762" z3="-0.469061">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="2.852525" y3="-3.853355" z3="-0.87576">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.258252" y3="-3.511976" z3="-1.676455">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.63016" y3="3.841358" z3="-0.814756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.874574" y3="3.258378" z3="-0.087931">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.855809" y3="3.411027" z3="-1.99299">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.251336" y3="1.762222" z3="-2.461807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.078333" y3="2.449369" z3="-0.729384">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-3.726341" y3="1.976521" z3="0.945347">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.958533" y3="-0.786096" z3="-1.838119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="5.198037" y3="0.331103" z3="-2.324567">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="7.370613" y3="0.371645" z3="-1.447185">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="3.392471" y3="-1.889297" z3="0.169831">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="4.076582" y3="-3.111467" z3="1.237356">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="6.408543" y3="-3.596282" z3="1.348106">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="9.216684" y3="-0.793078" z3="-0.293187">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="8.738007" y3="-2.796783" z3="1.113966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-7.052902" y3="-2.412741" z3="-2.089497">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-5.326191" y3="-2.050623" z3="-2.088868">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1023,2.0097,-2.2856;-3.9324,.0437,-.528;1.7444,1.4957,2.1416;-1.7594,2.3925,2.9065;4.7906,1.5109,.3267;-1.178,.2608,2.3699;-5.7325,-4.3631,-.8193;-5.9716,-2.8188,.8499;.2256,2.1715,.4388;2.8931,1.3285,-.9149;-6.5085,-.7946,-.9392;-6.4125,1.1922,-.0571;3.8612,-3.7277,-.7585;-7.7765,-.368,-.7347;-7.7112,.8204,-.2187;.799,2.7623,-.7681;2.2108,2.4035,-.2255;1.4419,1.9279,1.0522;-1.1186,1.8955,.6763;-2.0003,2.0114,-.3461;-1.6426,2.3586,-1.7732;-3.4639,1.8026,-.0981;4.1641,.9666,-.5782;-1.4923,1.4454,2.1129;4.7596,-.1561,-1.4459;5.8344,-.9463,-.7315;5.5689,-2.0814,.0682;7.1576,-.5029,-.8388;-5.6797,.1741,-.5019;4.1812,-2.6329,.2632;6.623,-2.7315,.7254;8.1999,-1.1594,-.1879;7.9341,-2.2808,.5986;-6.2138,-2.1235,-1.4539;-5.9717,-3.2126,-.3389;2.4336,.8914,-1.7021;4.2479,-4.6288,-.4691;2.8525,-3.8534,-.8758;4.2583,-3.512,-1.6765;.6302,3.8414,-.8148;2.8746,3.2584,-.0879;-1.8558,3.411,-1.993;-2.2513,1.7622,-2.4618;-4.0783,2.4494,-.7294;-3.7263,1.9765,.9453;3.9585,-.7861,-1.8381;5.198,.3311,-2.3246;7.3706,.3716,-1.4472;3.3925,-1.8893,.1698;4.0766,-3.1115,1.2374;6.4085,-3.5963,1.3481;9.2167,-.7931,-.2932;8.738,-2.7968,1.114;-7.0529,-2.4127,-2.0895;-5.3262,-2.0506,-2.0889;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1740753 0.0410489 0.0369602</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="0.079648" y3="1.939303" z3="-2.243377">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-3.968766" y3="0.050932" z3="-0.459162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="1.737392" y3="1.452045" z3="2.168449">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.930574" y3="2.372713" z3="2.912008">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.806743" y3="1.518978" z3="0.268292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-1.357753" y3="0.236152" z3="2.397446">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-5.840808" y3="-4.293131" z3="-0.898691">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.080342" y3="-2.772342" z3="0.776135">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="0.212357" y3="2.152656" z3="0.477495">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.870993" y3="1.256331" z3="-0.888628">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-6.543724" y3="-0.734986" z3="-0.99809">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.44207" y3="1.229079" z3="-0.059399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="3.92989" y3="-3.759502" z3="-0.643062">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-7.818026" y3="-0.311765" z3="-0.844808">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-7.730487" y3="0.860062" z3="-0.296262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.789378" y3="2.713009" z3="-0.744178">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="2.197822" y3="2.337578" z3="-0.205167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="1.429293" y3="1.887563" z3="1.081823">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.134557" y3="1.895502" z3="0.721102">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.018281" y3="2.006287" z3="-0.300414">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.658753" y3="2.321913" z3="-1.735718">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.481776" y3="1.810578" z3="-0.043367">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="4.16235" y3="0.933097" z3="-0.59661">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-1.509472" y3="1.456057" z3="2.160274">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.750637" y3="-0.193761" z3="-1.459835">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.864195" y3="-0.949541" z3="-0.767883">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="5.641691" y3="-2.063359" z3="0.073302">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="7.1783" y3="-0.495962" z3="-0.937312">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.714494" y3="0.208421" z3="-0.499165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="4.266696" y3="-2.622664" z3="0.327726">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="6.728665" y3="-2.681984" z3="0.71012">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.252517" y3="-1.121927" z3="-0.306919">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.029342" y3="-2.221366" z3="0.521559">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-6.243908" y3="-2.054557" z3="-1.525188">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.037201" y3="-3.149253" z3="-0.415317">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="2.388363" y3="0.780603" z3="-1.63904">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="4.35652" y3="-4.639459" z3="-0.343448">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="2.920587" y3="-3.916179" z3="-0.707542">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.276368" y3="-3.564002" z3="-1.586134">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.640439" y3="3.793817" z3="-0.812165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.874042" y3="3.184368" z3="-0.072914">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.85267" y3="3.374767" z3="-1.973383">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.276229" y3="1.722933" z3="-2.414413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.096452" y3="2.455926" z3="-0.67581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-3.736039" y3="1.990718" z3="1.001057">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.947933" y3="-0.847346" z3="-1.808652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="5.147863" y3="0.283102" z3="-2.364286">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="7.35856" y3="0.362263" z3="-1.577918">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="3.467674" y3="-1.889994" z3="0.228241">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="4.19508" y3="-3.061932" z3="1.323214">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="6.549039" y3="-3.530252" z3="1.365399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="9.26055" y3="-0.748634" z3="-0.460292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="8.858244" y3="-2.712582" z3="1.021245">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-7.066584" y3="-2.334642" z3="-2.186142">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-5.338556" y3="-1.978841" z3="-2.134858">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.0796,1.9393,-2.2434;-3.9688,.0509,-.4592;1.7374,1.452,2.1684;-1.9306,2.3727,2.912;4.8067,1.519,.2683;-1.3578,.2362,2.3974;-5.8408,-4.2931,-.8987;-6.0803,-2.7723,.7761;.2124,2.1527,.4775;2.871,1.2563,-.8886;-6.5437,-.735,-.9981;-6.4421,1.2291,-.0594;3.9299,-3.7595,-.6431;-7.818,-.3118,-.8448;-7.7305,.8601,-.2963;.7894,2.713,-.7442;2.1978,2.3376,-.2052;1.4293,1.8876,1.0818;-1.1346,1.8955,.7211;-2.0183,2.0063,-.3004;-1.6588,2.3219,-1.7357;-3.4818,1.8106,-.0434;4.1623,.9331,-.5966;-1.5095,1.4561,2.1603;4.7506,-.1938,-1.4598;5.8642,-.9495,-.7679;5.6417,-2.0634,.0733;7.1783,-.496,-.9373;-5.7145,.2084,-.4992;4.2667,-2.6227,.3277;6.7287,-2.682,.7101;8.2525,-1.1219,-.3069;8.0293,-2.2214,.5216;-6.2439,-2.0546,-1.5252;-6.0372,-3.1493,-.4153;2.3884,.7806,-1.639;4.3565,-4.6395,-.3434;2.9206,-3.9162,-.7075;4.2764,-3.564,-1.5861;.6404,3.7938,-.8122;2.874,3.1844,-.0729;-1.8527,3.3748,-1.9734;-2.2762,1.7229,-2.4144;-4.0965,2.4559,-.6758;-3.736,1.9907,1.0011;3.9479,-.8473,-1.8087;5.1479,.2831,-2.3643;7.3586,.3623,-1.5779;3.4677,-1.89,.2282;4.1951,-3.0619,1.3232;6.549,-3.5303,1.3654;9.2606,-.7486,-.4603;8.8582,-2.7126,1.0212;-7.0666,-2.3346,-2.1861;-5.3386,-1.9788,-2.1349;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1773071 0.0403984 0.0365796</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="0.028625" y3="1.809549" z3="-2.175454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.056554" y3="0.082435" z3="-0.360131">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="1.655024" y3="1.332208" z3="2.221429">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-2.015544" y3="2.396803" z3="2.948786">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.810704" y3="1.523155" z3="0.190365">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-1.467417" y3="0.253498" z3="2.455306">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-5.955096" y3="-4.185951" z3="-0.939816">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.160691" y3="-2.639302" z3="0.704178">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="0.156282" y3="2.108244" z3="0.536162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.819389" y3="1.110972" z3="-0.815741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-6.603431" y3="-0.628897" z3="-1.097072">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.526174" y3="1.314661" z3="-0.116992">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.111901" y3="-3.83764" z3="-0.524962">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-7.872767" y3="-0.167114" z3="-1.021412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-7.804341" y3="0.995613" z3="-0.451712">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.757028" y3="2.610272" z3="-0.701662">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="2.149775" y3="2.197754" z3="-0.147979">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="1.360854" y3="1.781265" z3="1.136471">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.199142" y3="1.896529" z3="0.775632">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.075231" y3="2.010459" z3="-0.252345">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.697971" y3="2.271265" z3="-1.693612">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.540792" y3="1.849468" z3="0.005602">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="4.142524" y3="0.864369" z3="-0.601387">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-1.596063" y3="1.475146" z3="2.213541">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.732511" y3="-0.259428" z3="-1.462722">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.907912" y3="-0.95111" z3="-0.810393">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="5.760391" y3="-2.043013" z3="0.07145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="7.197481" y3="-0.462384" z3="-1.055504">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.790509" y3="0.283838" z3="-0.523534">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="4.416262" y3="-2.642409" z3="0.38329">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="6.893852" y3="-2.60395" z3="0.680455">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.319328" y3="-1.031819" z3="-0.453912">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.169294" y3="-2.107695" z3="0.42069">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-6.302813" y3="-1.954911" z3="-1.603967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.142936" y3="-3.039964" z3="-0.479552">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="2.303224" y3="0.561256" z3="-1.489758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="4.633147" y3="-4.666822" z3="-0.227956">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="3.116758" y3="-4.077845" z3="-0.510548">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.374027" y3="-3.649651" z3="-1.496633">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.645629" y3="3.692872" z3="-0.802849">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.842697" y3="3.028927" z3="-0.003672">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.847816" y3="3.323581" z3="-1.964194">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.333353" y3="1.677529" z3="-2.359952">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.148994" y3="2.485027" z3="-0.642672">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-3.789782" y3="2.058973" z3="1.04529">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.941434" y3="-0.956975" z3="-1.751658">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="5.062342" y3="0.207292" z3="-2.399405">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="7.320116" y3="0.379245" z3="-1.730373">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="3.583526" y3="-1.950712" z3="0.261623">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="4.379509" y3="-3.034291" z3="1.400038">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="6.771225" y3="-3.43569" z3="1.369077">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="9.306585" y3="-0.632063" z3="-0.664439">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.034999" y3="-2.554237" z3="0.899192">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-7.106862" y3="-2.232857" z3="-2.287845">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-5.378425" y3="-1.898683" z3="-2.187422">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.0286,1.8095,-2.1755;-4.0566,.0824,-.3601;1.655,1.3322,2.2214;-2.0155,2.3968,2.9488;4.8107,1.5232,.1904;-1.4674,.2535,2.4553;-5.9551,-4.186,-.9398;-6.1607,-2.6393,.7042;.1563,2.1082,.5362;2.8194,1.111,-.8157;-6.6034,-.6289,-1.0971;-6.5262,1.3147,-.117;4.1119,-3.8376,-.525;-7.8728,-.1671,-1.0214;-7.8043,.9956,-.4517;.757,2.6103,-.7017;2.1498,2.1978,-.148;1.3609,1.7813,1.1365;-1.1991,1.8965,.7756;-2.0752,2.0105,-.2523;-1.698,2.2713,-1.6936;-3.5408,1.8495,.0056;4.1425,.8644,-.6014;-1.5961,1.4751,2.2135;4.7325,-.2594,-1.4627;5.9079,-.9511,-.8104;5.7604,-2.043,.0714;7.1975,-.4624,-1.0555;-5.7905,.2838,-.5235;4.4163,-2.6424,.3833;6.8939,-2.604,.6805;8.3193,-1.0318,-.4539;8.1693,-2.1077,.4207;-6.3028,-1.9549,-1.604;-6.1429,-3.04,-.4796;2.3032,.5613,-1.4898;4.6331,-4.6668,-.228;3.1168,-4.0778,-.5105;4.374,-3.6497,-1.4966;.6456,3.6929,-.8028;2.8427,3.0289,-.0037;-1.8478,3.3236,-1.9642;-2.3334,1.6775,-2.36;-4.149,2.485,-.6427;-3.7898,2.059,1.0453;3.9414,-.957,-1.7517;5.0623,.2073,-2.3994;7.3201,.3792,-1.7304;3.5835,-1.9507,.2616;4.3795,-3.0343,1.4;6.7712,-3.4357,1.3691;9.3066,-.6321,-.6644;9.035,-2.5542,.8992;-7.1069,-2.2329,-2.2878;-5.3784,-1.8987,-2.1874;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1825553 0.0394371 0.0360294</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.049794" y3="1.626751" z3="-2.027174">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.16352" y3="0.12322" z3="-0.155896">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="1.544265" y3="1.135851" z3="2.326418">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-2.09082" y3="2.432608" z3="3.059664">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.820271" y3="1.549126" z3="-0.035732">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-1.579269" y3="0.277629" z3="2.584837">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.124283" y3="-4.067655" z3="-1.233301">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.300664" y3="-2.567312" z3="0.445373">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="0.088683" y3="2.047999" z3="0.665472">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.743306" y3="0.897742" z3="-0.688467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-6.585678" y3="-0.489759" z3="-1.294568">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.637208" y3="1.378658" z3="-0.180807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.256993" y3="-3.841594" z3="-0.141774">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-7.843579" y3="0.010122" z3="-1.357105">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-7.86246" y3="1.129095" z3="-0.704787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.713358" y3="2.466258" z3="-0.595535">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="2.082298" y3="1.988372" z3="-0.029625">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="1.270533" y3="1.61783" z3="1.25029">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.276414" y3="1.896112" z3="0.901263">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.145656" y3="2.015741" z3="-0.132981">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.751234" y3="2.204023" z3="-1.582572">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.614086" y3="1.901978" z3="0.128647">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="4.100922" y3="0.770807" z3="-0.657021">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-1.703013" y3="1.498368" z3="2.335146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.649259" y3="-0.391411" z3="-1.489465">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.92204" y3="-0.978783" z3="-0.923933">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="5.906887" y3="-1.97256" z3="0.073676">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="7.159892" y3="-0.501803" z3="-1.372966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.856596" y3="0.361285" z3="-0.544976">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="4.616066" y3="-2.548464" z3="0.589309">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.1170" y3="-2.452823" z3="0.597381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.359442" y3="-0.990564" z3="-0.855427">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.340452" y3="-1.969867" z3="0.138107">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-6.240473" y3="-1.797031" z3="-1.827416">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.139979" y3="-2.926181" z3="-0.741862">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="2.180878" y3="0.215496" z3="-1.180141">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="4.904225" y3="-4.596452" z3="0.105206">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="3.310083" y3="-4.152347" z3="0.097889">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.299836" y3="-3.726928" z3="-1.15858">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.652793" y3="3.547422" z3="-0.740526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.80551" y3="2.789022" z3="0.132431">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.837031" y3="3.250655" z3="-1.898167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.415426" y3="1.620642" z3="-2.22754">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.215374" y3="2.515686" z3="-0.545423">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-3.852579" y3="2.160235" z3="1.158501">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.871301" y3="-1.15043" z3="-1.624707">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.847575" y3="0.008663" z3="-2.491067">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="7.179618" y3="0.263965" z3="-2.14195">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="3.756321" y3="-1.892705" z3="0.460815">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="4.684368" y3="-2.818164" z3="1.642822">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.096818" y3="-3.205712" z3="1.380594">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="9.304139" y3="-0.603338" z3="-1.223917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.266757" y3="-2.350953" z3="0.555018">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-6.996639" y3="-2.05119" z3="-2.570861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-5.278461" y3="-1.720544" z3="-2.343252">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0498,1.6268,-2.0272;-4.1635,.1232,-.1559;1.5443,1.1359,2.3264;-2.0908,2.4326,3.0597;4.8203,1.5491,-.0357;-1.5793,.2776,2.5848;-6.1243,-4.0677,-1.2333;-6.3007,-2.5673,.4454;.0887,2.048,.6655;2.7433,.8977,-.6885;-6.5857,-.4898,-1.2946;-6.6372,1.3787,-.1808;4.257,-3.8416,-.1418;-7.8436,.0101,-1.3571;-7.8625,1.1291,-.7048;.7134,2.4663,-.5955;2.0823,1.9884,-.0296;1.2705,1.6178,1.2503;-1.2764,1.8961,.9013;-2.1457,2.0157,-.133;-1.7512,2.204,-1.5826;-3.6141,1.902,.1286;4.1009,.7708,-.657;-1.703,1.4984,2.3351;4.6493,-.3914,-1.4895;5.922,-.9788,-.9239;5.9069,-1.9726,.0737;7.1599,-.5018,-1.373;-5.8566,.3613,-.545;4.6161,-2.5485,.5893;7.117,-2.4528,.5974;8.3594,-.9906,-.8554;8.3405,-1.9699,.1381;-6.2405,-1.797,-1.8274;-6.14,-2.9262,-.7419;2.1809,.2155,-1.1801;4.9042,-4.5965,.1052;3.3101,-4.1523,.0979;4.2998,-3.7269,-1.1586;.6528,3.5474,-.7405;2.8055,2.789,.1324;-1.837,3.2507,-1.8982;-2.4154,1.6206,-2.2275;-4.2154,2.5157,-.5454;-3.8526,2.1602,1.1585;3.8713,-1.1504,-1.6247;4.8476,.0087,-2.4911;7.1796,.264,-2.142;3.7563,-1.8927,.4608;4.6844,-2.8182,1.6428;7.0968,-3.2057,1.3806;9.3041,-.6033,-1.2239;9.2668,-2.351,.555;-6.9966,-2.0512,-2.5709;-5.2785,-1.7205,-2.3433;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1873372 0.0385617 0.0356439</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.053846" y3="1.654706" z3="-2.00273">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.163355" y3="0.106057" z3="-0.139478">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="1.560492" y3="1.10496" z3="2.338035">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-2.096788" y3="2.386431" z3="3.098756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.842788" y3="1.553972" z3="-0.105925">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-1.597349" y3="0.22821" z3="2.594323">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-5.9517" y3="-4.064784" z3="-1.418085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.173861" y3="-2.634004" z3="0.331965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="0.093146" y3="2.031411" z3="0.696162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.738029" y3="0.907828" z3="-0.693804">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-6.568278" y3="-0.479646" z3="-1.332491">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.638466" y3="1.35452" z3="-0.163128">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.184862" y3="-3.766414" z3="0.048593">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-7.825861" y3="0.017089" z3="-1.404661">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-7.853862" y3="1.112492" z3="-0.713998">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.708592" y3="2.476316" z3="-0.559593">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="2.082253" y3="1.990078" z3="-0.010088">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="1.280577" y3="1.599912" z3="1.269461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.270384" y3="1.865967" z3="0.935339">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.144116" y3="1.99801" z3="-0.09428">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.755853" y3="2.217484" z3="-1.542882">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.614766" y3="1.880373" z3="0.165937">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="4.097063" y3="0.77468" z3="-0.693903">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-1.690928" y3="1.456146" z3="2.367136">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.612021" y3="-0.417131" z3="-1.508809">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.897107" y3="-1.001346" z3="-0.961799">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="5.911108" y3="-1.950927" z3="0.080408">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="7.120419" y3="-0.566394" z3="-1.48535">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.852988" y3="0.347891" z3="-0.542286">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="4.639096" y3="-2.46521" z3="0.704275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.135232" y3="-2.436212" z3="0.563429">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.333196" y3="-1.058797" z3="-1.005338">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.34327" y3="-1.99901" z3="0.025753">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-6.208645" y3="-1.7650" z3="-1.914121">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.118227" y3="-2.945467" z3="-0.879889">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="2.165475" y3="0.219525" z3="-1.164392">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="4.822581" y3="-4.536622" z3="0.270077">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="3.249742" y3="-4.036157" z3="0.370495">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.15127" y3="-3.685286" z3="-0.971486">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.638546" y3="3.559145" z3="-0.685765">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.809588" y3="2.786499" z3="0.150756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.849865" y3="3.268524" z3="-1.838947">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.420729" y3="1.640284" z3="-2.191822">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.2113" y3="2.500491" z3="-0.505823">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-3.855466" y3="2.131906" z3="1.196917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.82511" y3="-1.172066" z3="-1.601343">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.788484" y3="-0.045973" z3="-2.524454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="7.117693" y3="0.165683" z3="-2.287089">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="3.7971" y3="-1.783565" z3="0.610127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="4.773262" y3="-2.702476" z3="1.759229">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.139188" y3="-3.152491" z3="1.380613">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="9.265999" y3="-0.706401" z3="-1.434104">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.280984" y3="-2.38218" z3="0.414269">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-6.956547" y3="-1.987783" z3="-2.674987">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-5.239438" y3="-1.658457" z3="-2.409862">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0538,1.6547,-2.0027;-4.1634,.1061,-.1395;1.5605,1.105,2.338;-2.0968,2.3864,3.0988;4.8428,1.554,-.1059;-1.5973,.2282,2.5943;-5.9517,-4.0648,-1.4181;-6.1739,-2.634,.332;.0931,2.0314,.6962;2.738,.9078,-.6938;-6.5683,-.4796,-1.3325;-6.6385,1.3545,-.1631;4.1849,-3.7664,.0486;-7.8259,.0171,-1.4047;-7.8539,1.1125,-.714;.7086,2.4763,-.5596;2.0823,1.9901,-.0101;1.2806,1.5999,1.2695;-1.2704,1.866,.9353;-2.1441,1.998,-.0943;-1.7559,2.2175,-1.5429;-3.6148,1.8804,.1659;4.0971,.7747,-.6939;-1.6909,1.4561,2.3671;4.612,-.4171,-1.5088;5.8971,-1.0013,-.9618;5.9111,-1.9509,.0804;7.1204,-.5664,-1.4853;-5.853,.3479,-.5423;4.6391,-2.4652,.7043;7.1352,-2.4362,.5634;8.3332,-1.0588,-1.0053;8.3433,-1.999,.0258;-6.2086,-1.765,-1.9141;-6.1182,-2.9455,-.8799;2.1655,.2195,-1.1644;4.8226,-4.5366,.2701;3.2497,-4.0362,.3705;4.1513,-3.6853,-.9715;.6385,3.5591,-.6858;2.8096,2.7865,.1508;-1.8499,3.2685,-1.8389;-2.4207,1.6403,-2.1918;-4.2113,2.5005,-.5058;-3.8555,2.1319,1.1969;3.8251,-1.1721,-1.6013;4.7885,-.046,-2.5245;7.1177,.1657,-2.2871;3.7971,-1.7836,.6101;4.7733,-2.7025,1.7592;7.1392,-3.1525,1.3806;9.266,-.7064,-1.4341;9.281,-2.3822,.4143;-6.9565,-1.9878,-2.675;-5.2394,-1.6585,-2.4099;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1864043 0.0387752 0.0358962</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.254857" y3="1.329695" z3="-1.664473">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.436979" y3="0.221426" z3="0.227171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="1.236572" y3="0.586464" z3="2.570532">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-2.3154" y3="2.374486" z3="3.359263">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.539959" y3="1.429061" z3="-0.739423">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-1.953656" y3="0.185012" z3="2.831861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-5.386208" y3="-3.691276" z3="-2.202115">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-5.793624" y3="-2.477862" z3="-0.315674">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.074003" y3="1.844996" z3="1.007448">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.501616" y3="0.418669" z3="-0.419846">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-6.283716" y3="-0.162646" z3="-1.778297">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.859487" y3="1.417529" z3="-0.402323">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.570693" y3="-3.404696" z3="1.112708">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-7.478436" y3="0.354752" z3="-2.157761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-7.821334" y3="1.298643" z3="-1.343049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.582962" y3="2.163773" z3="-0.274432">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.883643" y3="1.502556" z3="0.283786">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="1.028932" y3="1.179657" z3="1.536171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.454483" y3="1.80067" z3="1.223261">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.305047" y3="1.989343" z3="0.180172">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.880464" y3="2.119595" z3="-1.273584">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.785046" y3="1.987609" z3="0.425071">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.799682" y3="0.454831" z3="-0.859804">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-1.94843" y3="1.422472" z3="2.635343">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.25735" y3="-0.853674" z3="-1.508988">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.705911" y3="-1.196628" z3="-1.211628">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.094523" y3="-1.748812" z3="0.024006">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.687647" y3="-0.962156" z3="-2.179586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.928543" y3="0.4947" z3="-0.65577">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.094092" y3="-1.982196" z3="1.133688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439351" y3="-2.066988" z3="0.251624">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.023783" y3="-1.284195" z3="-1.949278">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.404082" y3="-1.841837" z3="-0.726473">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.684516" y3="-1.331771" z3="-2.424486">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-5.62559" y3="-2.639698" z3="-1.551293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="2.006594" y3="-0.463336" z3="-0.435843">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.333767" y3="-4.089744" z3="1.121393">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="3.981987" y3="-3.581124" z3="1.936152">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.002108" y3="-3.591573" z3="0.281984">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.621219" y3="3.240565" z3="-0.447807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.686521" y3="2.2068" z3="0.493237">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.838351" y3="3.158458" z3="-1.615307">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.605504" y3="1.598657" z3="-1.90017">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.339427" y3="2.588998" z3="-0.294821">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.010419" y3="2.321524" z3="1.433594">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.592147" y3="-1.673611" z3="-1.215296">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.134758" y3="-0.72467" z3="-2.58716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.393264" y3="-0.537406" z3="-3.13437">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.205899" y3="-1.366108" z3="1.050181">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.534518" y3="-1.848229" z3="2.120037">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.73802" y3="-2.461924" z3="1.218798">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.762302" y3="-1.10109" z3="-2.722647">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.442498" y3="-2.082611" z3="-0.527556">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-6.271648" y3="-1.509008" z3="-3.322018">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.659582" y3="-1.079285" z3="-2.706866">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2549,1.3297,-1.6645;-4.437,.2214,.2272;1.2366,.5865,2.5705;-2.3154,2.3745,3.3593;4.54,1.4291,-.7394;-1.9537,.185,2.8319;-5.3862,-3.6913,-2.2021;-5.7936,-2.4779,-.3157;-.074,1.845,1.0074;2.5016,.4187,-.4198;-6.2837,-.1626,-1.7783;-6.8595,1.4175,-.4023;4.5707,-3.4047,1.1127;-7.4784,.3548,-2.1578;-7.8213,1.2986,-1.343;.583,2.1638,-.2744;1.8836,1.5026,.2838;1.0289,1.1797,1.5362;-1.4545,1.8007,1.2233;-2.305,1.9893,.1802;-1.8805,2.1196,-1.2736;-3.785,1.9876,.4251;3.7997,.4548,-.8598;-1.9484,1.4225,2.6353;4.2573,-.8537,-1.509;5.7059,-1.1966,-1.2116;6.0945,-1.7488,.024;6.6876,-.9622,-2.1796;-5.9285,.4947,-.6558;5.0941,-1.9822,1.1337;7.4394,-2.067,.2516;8.0238,-1.2842,-1.9493;8.4041,-1.8418,-.7265;-5.6845,-1.3318,-2.4245;-5.6256,-2.6397,-1.5513;2.0066,-.4633,-.4358;5.3338,-4.0897,1.1214;3.982,-3.5811,1.9362;4.0021,-3.5916,.282;.6212,3.2406,-.4478;2.6865,2.2068,.4932;-1.8384,3.1585,-1.6153;-2.6055,1.5987,-1.9002;-4.3394,2.589,-.2948;-4.0104,2.3215,1.4336;3.5921,-1.6736,-1.2153;4.1348,-.7247,-2.5872;6.3933,-.5374,-3.1344;4.2059,-1.3661,1.0502;5.5345,-1.8482,2.12;7.738,-2.4619,1.2188;8.7623,-1.1011,-2.7226;9.4425,-2.0826,-.5276;-6.2716,-1.509,-3.322;-4.6596,-1.0793,-2.7069;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1891038 0.0394613 0.0371036</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.131519" y3="1.456539" z3="-1.862452">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.342902" y3="0.174386" z3="-0.055305">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="1.355729" y3="0.864133" z3="2.478813">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-2.235221" y3="2.415405" z3="3.179017">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.725031" y3="1.486568" z3="-0.352129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-1.849271" y3="0.226759" z3="2.705824">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.004614" y3="-3.854383" z3="-1.751924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.239413" y3="-2.463035" z3="0.029389">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.015663" y3="1.912588" z3="0.824467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.61756" y3="0.630022" z3="-0.509106">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-6.579716" y3="-0.27107" z3="-1.597316">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.761574" y3="1.494187" z3="-0.337497">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.576161" y3="-3.745106" z3="0.693372">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-7.803047" y3="0.265444" z3="-1.81462">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-7.881122" y3="1.334879" z3="-1.086241">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.643793" y3="2.287189" z3="-0.433357">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.975907" y3="1.730014" z3="0.152202">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="1.125887" y3="1.38111" z3="1.40888">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.391516" y3="1.819553" z3="1.034734">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.235422" y3="1.976147" z3="-0.016128">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.805537" y3="2.136079" z3="-1.460127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.714961" y3="1.932663" z3="0.211255">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.972295" y3="0.578273" z3="-0.691379">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-1.867228" y3="1.455492" z3="2.461788">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.459288" y3="-0.661934" z3="-1.449637">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.857409" y3="-1.092241" z3="-1.05449">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.120532" y3="-1.8612" z3="0.099355">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.937132" y3="-0.69235" z3="-1.850013">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.955056" y3="0.489029" z3="-0.671537">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.023564" y3="-2.325555" z3="1.023524">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.44157" y3="-2.204427" z3="0.419654">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.247217" y3="-1.045694" z3="-1.529825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.503382" y3="-1.806554" z3="-0.389006">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-6.179636" y3="-1.536621" z3="-2.194033">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.159508" y3="-2.744444" z3="-1.189779">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="2.04856" y3="-0.15851" z3="-0.786825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.343833" y3="-4.413446" z3="0.806675">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="3.812335" y3="-4.043621" z3="1.308605">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.245656" y3="-3.826659" z3="-0.271897">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.636472" y3="3.367291" z3="-0.596406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.731687" y3="2.495767" z3="0.333217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.827807" y3="3.18325" z3="-1.781968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.493651" y3="1.584003" z3="-2.10722">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.265662" y3="2.558436" z3="-0.493384">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-3.965895" y3="2.226411" z3="1.228847">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.733873" y3="-1.474753" z3="-1.348203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.457985" y3="-0.395007" z3="-2.51203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.743501" y3="-0.097907" z3="-2.737936">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.125281" y3="-1.713666" z3="0.980642">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.362888" y3="-2.364783" z3="2.058374">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.639529" y3="-2.779242" z3="1.320506">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="9.064029" y3="-0.723943" z3="-2.1683">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.51947" y3="-2.080798" z3="-0.124965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-6.873543" y3="-1.732769" z3="-3.011384">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-5.176421" y3="-1.41511" z3="-2.613379">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1315,1.4565,-1.8625;-4.3429,.1744,-.0553;1.3557,.8641,2.4788;-2.2352,2.4154,3.179;4.725,1.4866,-.3521;-1.8493,.2268,2.7058;-6.0046,-3.8544,-1.7519;-6.2394,-2.463,.0294;-.0157,1.9126,.8245;2.6176,.63,-.5091;-6.5797,-.2711,-1.5973;-6.7616,1.4942,-.3375;4.5762,-3.7451,.6934;-7.803,.2654,-1.8146;-7.8811,1.3349,-1.0862;.6438,2.2872,-.4334;1.9759,1.73,.1522;1.1259,1.3811,1.4089;-1.3915,1.8196,1.0347;-2.2354,1.9761,-.0161;-1.8055,2.1361,-1.4601;-3.715,1.9327,.2113;3.9723,.5783,-.6914;-1.8672,1.4555,2.4618;4.4593,-.6619,-1.4496;5.8574,-1.0922,-1.0545;6.1205,-1.8612,.0994;6.9371,-.6924,-1.85;-5.9551,.489,-.6715;5.0236,-2.3256,1.0235;7.4416,-2.2044,.4197;8.2472,-1.0457,-1.5298;8.5034,-1.8066,-.389;-6.1796,-1.5366,-2.194;-6.1595,-2.7444,-1.1898;2.0486,-.1585,-.7868;5.3438,-4.4134,.8067;3.8123,-4.0436,1.3086;4.2457,-3.8267,-.2719;.6365,3.3673,-.5964;2.7317,2.4958,.3332;-1.8278,3.1833,-1.782;-2.4937,1.584,-2.1072;-4.2657,2.5584,-.4934;-3.9659,2.2264,1.2288;3.7339,-1.4748,-1.3482;4.458,-.395,-2.512;6.7435,-.0979,-2.7379;4.1253,-1.7137,.9806;5.3629,-2.3648,2.0584;7.6395,-2.7792,1.3205;9.064,-.7239,-2.1683;9.5195,-2.0808,-.125;-6.8735,-1.7328,-3.0114;-5.1764,-1.4151,-2.6134;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1906147 0.0377376 0.0355303</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.310182" y3="1.09858" z3="-1.53002">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.6550" y3="0.277403" z3="0.189597">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.960862" y3="0.371131" z3="2.768843">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-2.410623" y3="2.430182" z3="3.423789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.248343" y3="1.195327" z3="-0.831516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.243319" y3="0.208936" z3="3.000051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-5.50785" y3="-3.352551" z3="-2.592321">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-5.951193" y3="-2.270525" z3="-0.648897">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.20093" y3="1.674695" z3="1.133282">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.367252" y3="0.103989" z3="-0.131244">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-6.335101" y3="0.116121" z3="-2.002408">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.942481" y3="1.63315" z3="-0.566095">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="5.350447" y3="-3.359121" z3="1.571993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-7.450673" y3="0.704968" z3="-2.488816">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-7.801844" y3="1.597926" z3="-1.614216">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.514685" y3="1.926243" z3="-0.127861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.762317" y3="1.231962" z3="0.504441">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.835618" y3="0.954045" z3="1.71583">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.588801" y3="1.706607" z3="1.302177">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.389191" y3="1.906064" z3="0.226519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.911423" y3="1.970588" z3="-1.208127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.872925" y3="1.987428" z3="0.412775">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.597047" y3="0.162156" z3="-0.736822">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.130373" y3="1.42784" z3="2.725549">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.095409" y3="-1.174937" z3="-1.298181">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.601627" y3="-1.338518" z3="-1.211268">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.27463" y3="-1.650646" z3="-0.009273">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.363434" y3="-1.156014" z3="-2.370933">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-6.041394" y3="0.682926" z3="-0.808054">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.553029" y3="-1.875514" z3="1.296321">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.672218" y3="-1.758806" z3="-0.003518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.753097" y3="-1.277388" z3="-2.358992">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.413515" y3="-1.581655" z3="-1.169938">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.713406" y3="-1.005984" z3="-2.690324">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-5.746686" y3="-2.351397" z3="-1.885196">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.936325" y3="-0.801355" z3="-0.004444">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="6.211573" y3="-3.886884" z3="1.400603">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="5.075616" y3="-3.521457" z3="2.545702">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.62459" y3="-3.767281" z3="0.976408">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.624127" y3="2.991415" z3="-0.345324">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.566499" y3="1.937471" z3="0.725534">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.813878" y3="3.003055" z3="-1.562279">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.64147" y3="1.473651" z3="-1.855549">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.349331" y3="2.633407" z3="-0.327031">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.125665" y3="2.338205" z3="1.412694">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.558358" y3="-2.014285" z3="-0.84565">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="3.806187" y3="-1.176216" z3="-2.354363">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="5.856218" y3="-0.910342" z3="-3.299303">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.566134" y3="-1.416986" z3="1.342655">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="6.140404" y3="-1.507883" z3="2.137878">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="8.186168" y3="-1.985669" z3="0.927106">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.315969" y3="-1.128778" z3="-3.275303">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.494408" y3="-1.675925" z3="-1.146737">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-6.232804" y3="-1.11408" z3="-3.642432">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.66791" y3="-0.748482" z3="-2.887975">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3102,1.0986,-1.53;-4.655,.2774,.1896;.9609,.3711,2.7688;-2.4106,2.4302,3.4238;4.2483,1.1953,-.8315;-2.2433,.2089,3.0001;-5.5079,-3.3526,-2.5923;-5.9512,-2.2705,-.6489;-.2009,1.6747,1.1333;2.3673,.104,-.1312;-6.3351,.1161,-2.0024;-6.9425,1.6332,-.5661;5.3504,-3.3591,1.572;-7.4507,.705,-2.4888;-7.8018,1.5979,-1.6142;.5147,1.9262,-.1279;1.7623,1.232,.5044;.8356,.954,1.7158;-1.5888,1.7066,1.3022;-2.3892,1.9061,.2265;-1.9114,1.9706,-1.2081;-3.8729,1.9874,.4128;3.597,.1622,-.7368;-2.1304,1.4278,2.7255;4.0954,-1.1749,-1.2982;5.6016,-1.3385,-1.2113;6.2746,-1.6506,-.0093;6.3634,-1.156,-2.3709;-6.0414,.6829,-.8081;5.553,-1.8755,1.2963;7.6722,-1.7588,-.0035;7.7531,-1.2774,-2.359;8.4135,-1.5817,-1.1699;-5.7134,-1.006,-2.6903;-5.7467,-2.3514,-1.8852;1.9363,-.8014,-.0044;6.2116,-3.8869,1.4006;5.0756,-3.5215,2.5457;4.6246,-3.7673,.9764;.6241,2.9914,-.3453;2.5665,1.9375,.7255;-1.8139,3.0031,-1.5623;-2.6415,1.4737,-1.8555;-4.3493,2.6334,-.327;-4.1257,2.3382,1.4127;3.5584,-2.0143,-.8457;3.8062,-1.1762,-2.3544;5.8562,-.9103,-3.2993;4.5661,-1.417,1.3427;6.1404,-1.5079,2.1379;8.1862,-1.9857,.9271;8.316,-1.1288,-3.2753;9.4944,-1.6759,-1.1467;-6.2328,-1.1141,-3.6424;-4.6679,-.7485,-2.888;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1903209 0.0387001 0.0361695</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.18439" y3="1.341509" z3="-1.746355">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.453183" y3="0.189679" z3="0.023377">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="1.238109" y3="0.640271" z3="2.571755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-2.251337" y3="2.385026" z3="3.288479">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.59332" y3="1.394768" z3="-0.565914">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-1.985114" y3="0.179588" z3="2.820343">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.016586" y3="-3.678585" z3="-2.149818">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.327538" y3="-2.423511" z3="-0.282888">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.067074" y3="1.800191" z3="0.939923">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.536031" y3="0.427994" z3="-0.387618">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-6.531995" y3="-0.108456" z3="-1.767589">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.803338" y3="1.581081" z3="-0.423579">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.856825" y3="-3.604281" z3="1.115593">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-7.706422" y3="0.481144" z3="-2.085354">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-7.84498" y3="1.494632" z3="-1.287557">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.610418" y3="2.151691" z3="-0.314496">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.918501" y3="1.54076" z3="0.276466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="1.045524" y3="1.202262" z3="1.517369">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.448796" y3="1.744711" z3="1.141052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.281027" y3="1.926166" z3="0.086574">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.838019" y3="2.075334" z3="-1.354375">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.76359" y3="1.924099" z3="0.304226">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.85534" y3="0.432919" z3="-0.750308">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-1.939218" y3="1.406989" z3="2.569534">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.333203" y3="-0.85972" z3="-1.424835">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.785627" y3="-1.180486" z3="-1.132185">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.209822" y3="-1.763017" z3="0.08129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.753222" y3="-0.865275" z3="-2.09329">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.992162" y3="0.570587" z3="-0.730274">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.244963" y3="-2.13118" z3="1.181106">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.573646" y3="-2.008873" z3="0.295328">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.106829" y3="-1.122051" z3="-1.876987">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.521984" y3="-1.697842" z3="-0.676649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-6.092117" y3="-1.333285" z3="-2.421624">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.166359" y3="-2.611303" z3="-1.512649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.994447" y3="-0.415879" z3="-0.516154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.684901" y3="-4.206217" z3="1.14685">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.254837" y3="-3.864955" z3="1.902955">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.351938" y3="-3.830887" z3="0.25413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.641723" y3="3.230737" z3="-0.482359">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.690486" y3="2.288318" z3="0.469891">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.826573" y3="3.123932" z3="-1.672854">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.539819" y3="1.5476" z3="-2.007738">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.286687" y3="2.575238" z3="-0.398708">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.014366" y3="2.220903" z3="1.321659">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.666879" y3="-1.690187" z3="-1.173256">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.216027" y3="-0.702979" z3="-2.502588">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.436895" y3="-0.412449" z3="-3.028244">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.310198" y3="-1.574483" z3="1.151363">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.693717" y3="-1.994863" z3="2.165028">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.895896" y3="-2.441462" z3="1.238898">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.833215" y3="-0.868351" z3="-2.642746">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.572976" y3="-1.896084" z3="-0.493464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-6.718598" y3="-1.459687" z3="-3.304278">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-5.056559" y3="-1.19499" z3="-2.747114">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1844,1.3415,-1.7464;-4.4532,.1897,.0234;1.2381,.6403,2.5718;-2.2513,2.385,3.2885;4.5933,1.3948,-.5659;-1.9851,.1796,2.8203;-6.0166,-3.6786,-2.1498;-6.3275,-2.4235,-.2829;-.0671,1.8002,.9399;2.536,.428,-.3876;-6.532,-.1085,-1.7676;-6.8033,1.5811,-.4236;4.8568,-3.6043,1.1156;-7.7064,.4811,-2.0854;-7.845,1.4946,-1.2876;.6104,2.1517,-.3145;1.9185,1.5408,.2765;1.0455,1.2023,1.5174;-1.4488,1.7447,1.1411;-2.281,1.9262,.0866;-1.838,2.0753,-1.3544;-3.7636,1.9241,.3042;3.8553,.4329,-.7503;-1.9392,1.407,2.5695;4.3332,-.8597,-1.4248;5.7856,-1.1805,-1.1322;6.2098,-1.763,.0813;6.7532,-.8653,-2.0933;-5.9922,.5706,-.7303;5.245,-2.1312,1.1811;7.5736,-2.0089,.2953;8.1068,-1.1221,-1.877;8.522,-1.6978,-.6766;-6.0921,-1.3333,-2.4216;-6.1664,-2.6113,-1.5126;1.9944,-.4159,-.5162;5.6849,-4.2062,1.1468;4.2548,-3.865,1.903;4.3519,-3.8309,.2541;.6417,3.2307,-.4824;2.6905,2.2883,.4699;-1.8266,3.1239,-1.6729;-2.5398,1.5476,-2.0077;-4.2867,2.5752,-.3987;-4.0144,2.2209,1.3217;3.6669,-1.6902,-1.1733;4.216,-.703,-2.5026;6.4369,-.4124,-3.0282;4.3102,-1.5745,1.1514;5.6937,-1.9949,2.165;7.8959,-2.4415,1.2389;8.8332,-.8684,-2.6427;9.573,-1.8961,-.4935;-6.7186,-1.4597,-3.3043;-5.0566,-1.195,-2.7471;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1909794 0.0375207 0.0355362</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.16931" y3="1.348522" z3="-1.772378">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.452078" y3="0.188701" z3="-0.016682">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="1.24847" y3="0.674441" z3="2.563943">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-2.238857" y3="2.389243" z3="3.260464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.619073" y3="1.390169" z3="-0.52334">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-1.995458" y3="0.180351" z3="2.794974">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.061406" y3="-3.675412" z3="-2.133282">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.322672" y3="-2.417366" z3="-0.259658">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.06378" y3="1.801415" z3="0.915407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.548331" y3="0.44341" z3="-0.393095">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-6.585639" y3="-0.108304" z3="-1.738515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.810664" y3="1.58799" z3="-0.394324">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.881918" y3="-3.648998" z3="1.086149">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-7.773454" y3="0.475225" z3="-2.014158">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-7.884705" y3="1.49256" z3="-1.216986">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.615825" y3="2.159351" z3="-0.335196">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.92718" y3="1.560096" z3="0.260993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="1.053969" y3="1.224475" z3="1.50352">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.445499" y3="1.740203" z3="1.113702">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.27521" y3="1.917937" z3="0.056661">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.829047" y3="2.069825" z3="-1.383251">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.758284" y3="1.918562" z3="0.271462">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.875691" y3="0.435909" z3="-0.725347">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-1.937778" y3="1.40683" z3="2.542526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.351678" y3="-0.852736" z3="-1.40902">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.80271" y3="-1.176554" z3="-1.113481">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.221021" y3="-1.775578" z3="0.09401">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.775685" y3="-0.840708" z3="-2.062167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-6.011059" y3="0.575765" z3="-0.724087">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.247731" y3="-2.171208" z3="1.176762">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.585165" y3="-2.013605" z3="0.31611">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.129188" y3="-1.091603" z3="-1.838853">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.538933" y3="-1.681045" z3="-0.643272">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-6.161768" y3="-1.331328" z3="-2.405934">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.200679" y3="-2.607969" z3="-1.4932">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.994921" y3="-0.386549" z3="-0.556867">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.714832" y3="-4.241276" z3="1.152175">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.248408" y3="-3.921576" z3="1.844093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.419293" y3="-3.876922" z3="0.20165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.639719" y3="3.23911" z3="-0.500184">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.69766" y3="2.310422" z3="0.446713">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.825111" y3="3.118598" z3="-1.701579">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.524905" y3="1.536948" z3="-2.038809">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.278848" y3="2.573511" z3="-0.42985">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.010706" y3="2.212371" z3="1.289323">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.682089" y3="-1.682756" z3="-1.164341">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.237955" y3="-0.688449" z3="-2.486107">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.46377" y3="-0.375103" z3="-2.992293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.305111" y3="-1.627887" z3="1.140924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.68018" y3="-2.042008" z3="2.168972">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.90369" y3="-2.456343" z3="1.256125">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.859876" y3="-0.82139" z3="-2.594789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.589935" y3="-1.873398" z3="-0.454033">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-6.81419" y3="-1.459904" z3="-3.269368">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-5.13725" y3="-1.189174" z3="-2.762872">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1693,1.3485,-1.7724;-4.4521,.1887,-.0167;1.2485,.6744,2.5639;-2.2389,2.3892,3.2605;4.6191,1.3902,-.5233;-1.9955,.1804,2.795;-6.0614,-3.6754,-2.1333;-6.3227,-2.4174,-.2597;-.0638,1.8014,.9154;2.5483,.4434,-.3931;-6.5856,-.1083,-1.7385;-6.8107,1.588,-.3943;4.8819,-3.649,1.0861;-7.7735,.4752,-2.0142;-7.8847,1.4926,-1.217;.6158,2.1594,-.3352;1.9272,1.5601,.261;1.054,1.2245,1.5035;-1.4455,1.7402,1.1137;-2.2752,1.9179,.0567;-1.829,2.0698,-1.3833;-3.7583,1.9186,.2715;3.8757,.4359,-.7253;-1.9378,1.4068,2.5425;4.3517,-.8527,-1.409;5.8027,-1.1766,-1.1135;6.221,-1.7756,.094;6.7757,-.8407,-2.0622;-6.0111,.5758,-.7241;5.2477,-2.1712,1.1768;7.5852,-2.0136,.3161;8.1292,-1.0916,-1.8389;8.5389,-1.681,-.6433;-6.1618,-1.3313,-2.4059;-6.2007,-2.608,-1.4932;1.9949,-.3865,-.5569;5.7148,-4.2413,1.1522;4.2484,-3.9216,1.8441;4.4193,-3.8769,.2016;.6397,3.2391,-.5002;2.6977,2.3104,.4467;-1.8251,3.1186,-1.7016;-2.5249,1.5369,-2.0388;-4.2788,2.5735,-.4299;-4.0107,2.2124,1.2893;3.6821,-1.6828,-1.1643;4.238,-.6884,-2.4861;6.4638,-.3751,-2.9923;4.3051,-1.6279,1.1409;5.6802,-2.042,2.169;7.9037,-2.4563,1.2561;8.8599,-.8214,-2.5948;9.5899,-1.8734,-.454;-6.8142,-1.4599,-3.2694;-5.1372,-1.1892,-2.7629;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1921220 0.0372817 0.0353324</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.161015" y3="1.322839" z3="-1.812067">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.473734" y3="0.187517" z3="-0.06579">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="1.242146" y3="0.594094" z3="2.521854">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-2.186866" y3="2.340736" z3="3.238837">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.629151" y3="1.36075" z3="-0.534734">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.036911" y3="0.12907" z3="2.748466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.174002" y3="-3.614372" z3="-2.183664">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.296846" y3="-2.390573" z3="-0.273453">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.059715" y3="1.740247" z3="0.88008">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.563758" y3="0.401053" z3="-0.425086">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-6.687901" y3="-0.06002" z3="-1.688563">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.835299" y3="1.613622" z3="-0.306004">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.947737" y3="-3.641165" z3="1.110385">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-7.885836" y3="0.530912" z3="-1.893126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-7.947111" y3="1.539745" z3="-1.079546">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.623505" y3="2.113383" z3="-0.362706">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.934642" y3="1.510624" z3="0.233045">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="1.05477" y3="1.156657" z3="1.466463">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.441708" y3="1.687775" z3="1.078225">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.268618" y3="1.88101" z3="0.022121">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.82034" y3="2.042339" z3="-1.416587">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.751553" y3="1.901036" z3="0.238175">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.891366" y3="0.406819" z3="-0.75684">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-1.933656" y3="1.354858" z3="2.507229">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.388533" y3="-0.882957" z3="-1.424545">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.84044" y3="-1.178762" z3="-1.107239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.250397" y3="-1.747057" z3="0.117605">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.821605" y3="-0.840152" z3="-2.046581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-6.056568" y3="0.607113" z3="-0.697227">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.262453" y3="-2.150774" z3="1.184095">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.615565" y3="-1.950498" z3="0.367444">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.176063" y3="-1.058217" z3="-1.796225">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.57796" y3="-1.614844" z3="-0.582299">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-6.297106" y3="-1.266421" z3="-2.4049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.267458" y3="-2.55936" z3="-1.515714">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="2.012292" y3="-0.425427" z3="-0.611218">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.793486" y3="-4.205172" z3="1.234795">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.284052" y3="-3.917499" z3="1.840576">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.53922" y3="-3.901651" z3="0.208156">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.647685" y3="3.195414" z3="-0.513132">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.704125" y3="2.259402" z3="0.426778">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.816623" y3="3.093715" z3="-1.726753">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.51606" y3="1.515308" z3="-2.077219">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.262343" y3="2.573028" z3="-0.454392">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-3.998742" y3="2.188934" z3="1.259121">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.73017" y3="-1.720361" z3="-1.174444">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.281669" y3="-0.733399" z3="-2.504585">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.515754" y3="-0.398007" z3="-2.990055">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.302689" y3="-1.641551" z3="1.110201">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.660797" y3="-1.988578" z3="2.185864">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.92869" y3="-2.366584" z3="1.321241">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.91358" y3="-0.787073" z3="-2.545147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.629557" y3="-1.779591" z3="-0.371631">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-6.999294" y3="-1.382201" z3="-3.230275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-5.296906" y3="-1.108943" z3="-2.819666">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.161,1.3228,-1.8121;-4.4737,.1875,-.0658;1.2421,.5941,2.5219;-2.1869,2.3407,3.2388;4.6292,1.3607,-.5347;-2.0369,.1291,2.7485;-6.174,-3.6144,-2.1837;-6.2968,-2.3906,-.2735;-.0597,1.7402,.8801;2.5638,.4011,-.4251;-6.6879,-.06,-1.6886;-6.8353,1.6136,-.306;4.9477,-3.6412,1.1104;-7.8858,.5309,-1.8931;-7.9471,1.5397,-1.0795;.6235,2.1134,-.3627;1.9346,1.5106,.233;1.0548,1.1567,1.4665;-1.4417,1.6878,1.0782;-2.2686,1.881,.0221;-1.8203,2.0423,-1.4166;-3.7516,1.901,.2382;3.8914,.4068,-.7568;-1.9337,1.3549,2.5072;4.3885,-.883,-1.4245;5.8404,-1.1788,-1.1072;6.2504,-1.7471,.1176;6.8216,-.8402,-2.0466;-6.0566,.6071,-.6972;5.2625,-2.1508,1.1841;7.6156,-1.9505,.3674;8.1761,-1.0582,-1.7962;8.578,-1.6148,-.5823;-6.2971,-1.2664,-2.4049;-6.2675,-2.5594,-1.5157;2.0123,-.4254,-.6112;5.7935,-4.2052,1.2348;4.2841,-3.9175,1.8406;4.5392,-3.9017,.2082;.6477,3.1954,-.5131;2.7041,2.2594,.4268;-1.8166,3.0937,-1.7268;-2.5161,1.5153,-2.0772;-4.2623,2.573,-.4544;-3.9987,2.1889,1.2591;3.7302,-1.7204,-1.1744;4.2817,-.7334,-2.5046;6.5158,-.398,-2.9901;4.3027,-1.6416,1.1102;5.6608,-1.9886,2.1859;7.9287,-2.3666,1.3212;8.9136,-.7871,-2.5451;9.6296,-1.7796,-.3716;-6.9993,-1.3822,-3.2303;-5.2969,-1.1089,-2.8197;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1973889 0.0367939 0.0350282</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.147249" y3="1.280793" z3="-1.800244">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.5140" y3="0.207836" z3="-0.088997">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="1.174812" y3="0.502753" z3="2.542039">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-2.174631" y3="2.332924" z3="3.235628">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.603128" y3="1.332834" z3="-0.532733">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.145702" y3="0.118524" z3="2.73676">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.292834" y3="-3.577124" z3="-2.178306">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.335867" y3="-2.336443" z3="-0.276468">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.081287" y3="1.686003" z3="0.892789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.559525" y3="0.334705" z3="-0.372483">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-6.737538" y3="-0.011878" z3="-1.703427">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.840679" y3="1.686433" z3="-0.347404">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="5.066838" y3="-3.635723" z3="1.151961">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-7.919299" y3="0.60611" z3="-1.918289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-7.960058" y3="1.621252" z3="-1.110674">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.623814" y3="2.059061" z3="-0.33652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.92091" y3="1.442759" z3="0.278518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="1.015442" y3="1.083258" z3="1.491514">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.466457" y3="1.653244" z3="1.0731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.275841" y3="1.858259" z3="0.00622">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.80632" y3="2.012593" z3="-1.426567">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.760929" y3="1.908329" z3="0.20328">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.881455" y3="0.360822" z3="-0.726538">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-1.977277" y3="1.337822" z3="2.49916">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.390573" y3="-0.922856" z3="-1.39841">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.854404" y3="-1.182279" z3="-1.107214">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.298798" y3="-1.721236" z3="0.118589">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.810005" y3="-0.840168" z3="-2.071275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-6.087293" y3="0.655558" z3="-0.72452">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.337256" y3="-2.136124" z3="1.204692">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.672331" y3="-1.891524" z3="0.346139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.17328" y3="-1.025028" z3="-1.842771">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.609464" y3="-1.55106" z3="-0.627008">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-6.369475" y3="-1.228356" z3="-2.415675">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.341967" y3="-2.514761" z3="-1.517838">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="2.016429" y3="-0.497676" z3="-0.55656">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.930825" y3="-4.172168" z3="1.272977">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.420199" y3="-3.924134" z3="1.892584">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.656194" y3="-3.916743" z3="0.256698">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.659684" y3="3.141582" z3="-0.482071">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.691335" y3="2.185682" z3="0.489462">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.792266" y3="3.063644" z3="-1.737922">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.497286" y3="1.489621" z3="-2.095595">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.248042" y3="2.585429" z3="-0.501597">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.015075" y3="2.213569" z3="1.217651">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.758117" y3="-1.773498" z3="-1.127112">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.257129" y3="-0.784684" z3="-2.477056">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.477203" y3="-0.421835" z3="-3.016496">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.360892" y3="-1.658194" z3="1.135982">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.742616" y3="-1.948789" z3="2.199342">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="8.012481" y3="-2.28461" z3="1.30046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.890782" y3="-0.752321" z3="-2.610352">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.668125" y3="-1.689308" z3="-0.433284">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-7.082719" y3="-1.340826" z3="-3.231832">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-5.372305" y3="-1.08526" z3="-2.842965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1472,1.2808,-1.8002;-4.514,.2078,-.089;1.1748,.5028,2.542;-2.1746,2.3329,3.2356;4.6031,1.3328,-.5327;-2.1457,.1185,2.7368;-6.2928,-3.5771,-2.1783;-6.3359,-2.3364,-.2765;-.0813,1.686,.8928;2.5595,.3347,-.3725;-6.7375,-.0119,-1.7034;-6.8407,1.6864,-.3474;5.0668,-3.6357,1.152;-7.9193,.6061,-1.9183;-7.9601,1.6213,-1.1107;.6238,2.0591,-.3365;1.9209,1.4428,.2785;1.0154,1.0833,1.4915;-1.4665,1.6532,1.0731;-2.2758,1.8583,.0062;-1.8063,2.0126,-1.4266;-3.7609,1.9083,.2033;3.8815,.3608,-.7265;-1.9773,1.3378,2.4992;4.3906,-.9229,-1.3984;5.8544,-1.1823,-1.1072;6.2988,-1.7212,.1186;6.81,-.8402,-2.0713;-6.0873,.6556,-.7245;5.3373,-2.1361,1.2047;7.6723,-1.8915,.3461;8.1733,-1.025,-1.8428;8.6095,-1.5511,-.627;-6.3695,-1.2284,-2.4157;-6.342,-2.5148,-1.5178;2.0164,-.4977,-.5566;5.9308,-4.1722,1.273;4.4202,-3.9241,1.8926;4.6562,-3.9167,.2567;.6597,3.1416,-.4821;2.6913,2.1857,.4895;-1.7923,3.0636,-1.7379;-2.4973,1.4896,-2.0956;-4.248,2.5854,-.5016;-4.0151,2.2136,1.2177;3.7581,-1.7735,-1.1271;4.2571,-.7847,-2.4771;6.4772,-.4218,-3.0165;4.3609,-1.6582,1.136;5.7426,-1.9488,2.1993;8.0125,-2.2846,1.3005;8.8908,-.7523,-2.6104;9.6681,-1.6893,-.4333;-7.0827,-1.3408,-3.2318;-5.3723,-1.0853,-2.843;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.2000653 0.0363877 0.0347485</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.132888" y3="1.312619" z3="-1.795076">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.491405" y3="0.208792" z3="-0.076861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="1.173757" y3="0.553702" z3="2.555189">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-2.170719" y3="2.375015" z3="3.232692">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.616179" y3="1.366513" z3="-0.501298">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.15281" y3="0.159365" z3="2.738234">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.239591" y3="-3.631399" z3="-2.102714">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.300849" y3="-2.354348" z3="-0.225961">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.079529" y3="1.726314" z3="0.896796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.565767" y3="0.37796" z3="-0.357124">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-6.703519" y3="-0.059649" z3="-1.699985">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.82444" y3="1.667612" z3="-0.382517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.999076" y3="-3.663563" z3="1.084584">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-7.887747" y3="0.546641" z3="-1.934518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-7.937918" y3="1.580807" z3="-1.152105">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.628958" y3="2.098845" z3="-0.330675">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.925116" y3="1.486551" z3="0.29043">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="1.016826" y3="1.130617" z3="1.502267">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.464978" y3="1.687839" z3="1.07246">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.271886" y3="1.882296" z3="0.001888">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.798782" y3="2.032661" z3="-1.4298">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.758003" y3="1.920965" z3="0.193018">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.889309" y3="0.400415" z3="-0.70557">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-1.978063" y3="1.377354" z3="2.498685">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.388677" y3="-0.876908" z3="-1.396143">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.846611" y3="-1.164648" z3="-1.100752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.274982" y3="-1.745165" z3="0.111997">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.813309" y3="-0.815053" z3="-2.050839">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-6.064176" y3="0.631448" z3="-0.730322">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.302461" y3="-2.172457" z3="1.183202">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.643779" y3="-1.947743" z3="0.340754">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.171792" y3="-1.030934" z3="-1.821023">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.592008" y3="-1.59819" z3="-0.618267">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-6.32397" y3="-1.287714" z3="-2.385832">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.297561" y3="-2.55664" z3="-1.463698">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="2.020121" y3="-0.450835" z3="-0.549843">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.850638" y3="-4.222336" z3="1.190969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.343538" y3="-3.959564" z3="1.814321">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.585707" y3="-3.90853" z3="0.18015">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.662324" y3="3.180982" z3="-0.479733">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.693992" y3="2.23081" z3="0.502259">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.792474" y3="3.082113" z3="-1.746676">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.483444" y3="1.500487" z3="-2.098101">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.248829" y3="2.58309" z3="-0.523428">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.018995" y3="2.238268" z3="1.201993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.741361" y3="-1.723141" z3="-1.146981">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.265563" y3="-0.716308" z3="-2.472839">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.492903" y3="-0.366566" z3="-2.986479">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.337314" y3="-1.670829" z3="1.12976">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.710859" y3="-2.024977" z3="2.183225">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.971136" y3="-2.375075" z3="1.284899">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.898068" y3="-0.751351" z3="-2.577814">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.646888" y3="-1.762081" z3="-0.423859">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-7.030396" y3="-1.419806" z3="-3.204972">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-5.324399" y3="-1.147478" z3="-2.808628">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1329,1.3126,-1.7951;-4.4914,.2088,-.0769;1.1738,.5537,2.5552;-2.1707,2.375,3.2327;4.6162,1.3665,-.5013;-2.1528,.1594,2.7382;-6.2396,-3.6314,-2.1027;-6.3008,-2.3543,-.226;-.0795,1.7263,.8968;2.5658,.378,-.3571;-6.7035,-.0596,-1.7;-6.8244,1.6676,-.3825;4.9991,-3.6636,1.0846;-7.8877,.5466,-1.9345;-7.9379,1.5808,-1.1521;.629,2.0988,-.3307;1.9251,1.4866,.2904;1.0168,1.1306,1.5023;-1.465,1.6878,1.0725;-2.2719,1.8823,.0019;-1.7988,2.0327,-1.4298;-3.758,1.921,.193;3.8893,.4004,-.7056;-1.9781,1.3774,2.4987;4.3887,-.8769,-1.3961;5.8466,-1.1646,-1.1008;6.275,-1.7452,.112;6.8133,-.8151,-2.0508;-6.0642,.6314,-.7303;5.3025,-2.1725,1.1832;7.6438,-1.9477,.3408;8.1718,-1.0309,-1.821;8.592,-1.5982,-.6183;-6.324,-1.2877,-2.3858;-6.2976,-2.5566,-1.4637;2.0201,-.4508,-.5498;5.8506,-4.2223,1.191;4.3435,-3.9596,1.8143;4.5857,-3.9085,.1802;.6623,3.181,-.4797;2.694,2.2308,.5023;-1.7925,3.0821,-1.7467;-2.4834,1.5005,-2.0981;-4.2488,2.5831,-.5234;-4.019,2.2383,1.202;3.7414,-1.7231,-1.147;4.2656,-.7163,-2.4728;6.4929,-.3666,-2.9865;4.3373,-1.6708,1.1298;5.7109,-2.025,2.1832;7.9711,-2.3751,1.2849;8.8981,-.7514,-2.5778;9.6469,-1.7621,-.4239;-7.0304,-1.4198,-3.205;-5.3244,-1.1475,-2.8086;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1975276 0.0366342 0.0349012</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.118311" y3="1.290663" z3="-1.773071">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.504642" y3="0.212747" z3="-0.086008">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="1.123867" y3="0.521769" z3="2.589189">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-2.130048" y3="2.397397" z3="3.243754">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.595307" y3="1.355906" z3="-0.49796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.259395" y3="0.186966" z3="2.741516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.276582" y3="-3.610404" z3="-2.156977">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.295351" y3="-2.353546" z3="-0.266473">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.095471" y3="1.706824" z3="0.91688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.559756" y3="0.34497" z3="-0.299778">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-6.718024" y3="-0.040653" z3="-1.71231">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.825182" y3="1.688831" z3="-0.39695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="5.072792" y3="-3.653007" z3="1.133594">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-7.895058" y3="0.577966" z3="-1.950263">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-7.937043" y3="1.613948" z3="-1.169717">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.629381" y3="2.076529" z3="-0.300661">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.914707" y3="1.456519" z3="0.337464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.988031" y3="1.104899" z3="1.536428">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.48286" y3="1.678535" z3="1.078724">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.276654" y3="1.871346" z3="-0.001187">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.787937" y3="2.011635" z3="-1.42841">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.764646" y3="1.9214" z3="0.173406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.875751" y3="0.379205" z3="-0.675572">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.008292" y3="1.392203" z3="2.50513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.372444" y3="-0.89744" z3="-1.369759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.838983" y3="-1.171113" z3="-1.104844">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.299839" y3="-1.73363" z3="0.104693">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.780475" y3="-0.829035" z3="-2.08241">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-6.073705" y3="0.6451" z3="-0.741953">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.356862" y3="-2.156433" z3="1.20354">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.674761" y3="-1.924467" z3="0.303535">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.145368" y3="-1.03386" z3="-1.882334">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.597671" y3="-1.581988" z3="-0.682389">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-6.34233" y3="-1.262384" z3="-2.412534">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.314165" y3="-2.542038" z3="-1.506484">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="2.016657" y3="-0.486284" z3="-0.489018">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.933985" y3="-4.197958" z3="1.234007">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.433588" y3="-3.946337" z3="1.87878">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.648371" y3="-3.917139" z3="0.239773">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.669844" y3="3.158353" z3="-0.450806">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.684207" y3="2.197466" z3="0.558292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.780807" y3="3.059001" z3="-1.752248">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.465251" y3="1.473955" z3="-2.099996">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.241254" y3="2.580601" z3="-0.555374">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.035415" y3="2.253186" z3="1.175409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.738132" y3="-1.747822" z3="-1.101813">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.224483" y3="-0.744451" z3="-2.444338">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.434922" y3="-0.395655" z3="-3.016231">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.383852" y3="-1.66894" z3="1.165328">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.785415" y3="-1.988982" z3="2.191857">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="8.026942" y3="-2.337886" z3="1.245019">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.851583" y3="-0.760893" z3="-2.660243">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.657899" y3="-1.736822" z3="-0.510974">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-7.051787" y3="-1.383914" z3="-3.230528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-5.344017" y3="-1.118047" z3="-2.837364">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1183,1.2907,-1.7731;-4.5046,.2127,-.086;1.1239,.5218,2.5892;-2.13,2.3974,3.2438;4.5953,1.3559,-.498;-2.2594,.187,2.7415;-6.2766,-3.6104,-2.157;-6.2954,-2.3535,-.2665;-.0955,1.7068,.9169;2.5598,.345,-.2998;-6.718,-.0407,-1.7123;-6.8252,1.6888,-.397;5.0728,-3.653,1.1336;-7.8951,.578,-1.9503;-7.937,1.6139,-1.1697;.6294,2.0765,-.3007;1.9147,1.4565,.3375;.988,1.1049,1.5364;-1.4829,1.6785,1.0787;-2.2767,1.8713,-.0012;-1.7879,2.0116,-1.4284;-3.7646,1.9214,.1734;3.8758,.3792,-.6756;-2.0083,1.3922,2.5051;4.3724,-.8974,-1.3698;5.839,-1.1711,-1.1048;6.2998,-1.7336,.1047;6.7805,-.829,-2.0824;-6.0737,.6451,-.742;5.3569,-2.1564,1.2035;7.6748,-1.9245,.3035;8.1454,-1.0339,-1.8823;8.5977,-1.582,-.6824;-6.3423,-1.2624,-2.4125;-6.3142,-2.542,-1.5065;2.0167,-.4863,-.489;5.934,-4.198,1.234;4.4336,-3.9463,1.8788;4.6484,-3.9171,.2398;.6698,3.1584,-.4508;2.6842,2.1975,.5583;-1.7808,3.059,-1.7522;-2.4653,1.474,-2.1;-4.2413,2.5806,-.5554;-4.0354,2.2532,1.1754;3.7381,-1.7478,-1.1018;4.2245,-.7445,-2.4443;6.4349,-.3957,-3.0162;4.3839,-1.6689,1.1653;5.7854,-1.989,2.1919;8.0269,-2.3379,1.245;8.8516,-.7609,-2.6602;9.6579,-1.7368,-.511;-7.0518,-1.3839,-3.2305;-5.344,-1.118,-2.8374;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1973190 0.0365348 0.0347902</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.097108" y3="1.287976" z3="-1.740358">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.502393" y3="0.219305" z3="-0.083323">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="1.072251" y3="0.528258" z3="2.63696">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-2.073139" y3="2.455144" z3="3.260579">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.580016" y3="1.366782" z3="-0.469053">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.379178" y3="0.262647" z3="2.754731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.269563" y3="-3.63303" z3="-2.140516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.274592" y3="-2.356207" z3="-0.26395">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.110384" y3="1.718628" z3="0.945193">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.555281" y3="0.341768" z3="-0.22851">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-6.696036" y3="-0.056997" z3="-1.735145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.809899" y3="1.699613" z3="-0.457181">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="5.100757" y3="-3.667872" z3="1.131954">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-7.863597" y3="0.567015" z3="-2.004155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-7.909474" y3="1.619528" z3="-1.246357">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.632197" y3="2.081653" z3="-0.262384">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.90574" y3="1.456872" z3="0.396642">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.95903" y3="1.113289" z3="1.582163">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.49949" y3="1.698335" z3="1.091515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.279368" y3="1.879578" z3="0.000288">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.773601" y3="2.004161" z3="-1.42205">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.769783" y3="1.931764" z3="0.154603">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.86341" y3="0.385139" z3="-0.630554">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.037371" y3="1.445527" z3="2.519161">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.349307" y3="-0.886149" z3="-1.341779">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.819972" y3="-1.165914" z3="-1.106649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.303328" y3="-1.741332" z3="0.088352">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.742613" y3="-0.821896" z3="-2.101148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-6.060704" y3="0.643709" z3="-0.769417">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.383946" y3="-2.170987" z3="1.204028">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.680781" y3="-1.941224" z3="0.256504">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.11026" y3="-1.035789" z3="-1.931612">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.584674" y3="-1.595939" z3="-0.745915">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-6.313768" y3="-1.28622" z3="-2.419203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.296984" y3="-2.55731" z3="-1.502243">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="2.011951" y3="-0.488917" z3="-0.419742">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.964278" y3="-4.211565" z3="1.217643">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.472049" y3="-3.96489" z3="1.884619">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.665138" y3="-3.928673" z3="0.242673">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.679061" y3="3.162464" z3="-0.418107">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.674637" y3="2.195667" z3="0.626833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.769718" y3="3.047542" z3="-1.758623">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.440262" y3="1.454226" z3="-2.094586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.23476" y3="2.578094" z3="-0.593042">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.055476" y3="2.284034" z3="1.145726">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.717454" y3="-1.737524" z3="-1.071009">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.183237" y3="-0.723761" z3="-2.412205">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.379668" y3="-0.380108" z3="-3.024389">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.410121" y3="-1.684235" z3="1.191158">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.833837" y3="-2.009271" z3="2.183702">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="8.049609" y3="-2.366038" z3="1.186595">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.801354" y3="-0.76125" z3="-2.722456">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.647359" y3="-1.758327" z3="-0.598286">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-7.014286" y3="-1.414819" z3="-3.243664">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-5.310734" y3="-1.145687" z3="-2.834672">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0971,1.288,-1.7404;-4.5024,.2193,-.0833;1.0723,.5283,2.637;-2.0731,2.4551,3.2606;4.58,1.3668,-.4691;-2.3792,.2626,2.7547;-6.2696,-3.633,-2.1405;-6.2746,-2.3562,-.264;-.1104,1.7186,.9452;2.5553,.3418,-.2285;-6.696,-.057,-1.7351;-6.8099,1.6996,-.4572;5.1008,-3.6679,1.132;-7.8636,.567,-2.0042;-7.9095,1.6195,-1.2464;.6322,2.0817,-.2624;1.9057,1.4569,.3966;.959,1.1133,1.5822;-1.4995,1.6983,1.0915;-2.2794,1.8796,.0003;-1.7736,2.0042,-1.4221;-3.7698,1.9318,.1546;3.8634,.3851,-.6306;-2.0374,1.4455,2.5192;4.3493,-.8861,-1.3418;5.82,-1.1659,-1.1066;6.3033,-1.7413,.0884;6.7426,-.8219,-2.1011;-6.0607,.6437,-.7694;5.3839,-2.171,1.204;7.6808,-1.9412,.2565;8.1103,-1.0358,-1.9316;8.5847,-1.5959,-.7459;-6.3138,-1.2862,-2.4192;-6.297,-2.5573,-1.5022;2.012,-.4889,-.4197;5.9643,-4.2116,1.2176;4.472,-3.9649,1.8846;4.6651,-3.9287,.2427;.6791,3.1625,-.4181;2.6746,2.1957,.6268;-1.7697,3.0475,-1.7586;-2.4403,1.4542,-2.0946;-4.2348,2.5781,-.593;-4.0555,2.284,1.1457;3.7175,-1.7375,-1.071;4.1832,-.7238,-2.4122;6.3797,-.3801,-3.0244;4.4101,-1.6842,1.1912;5.8338,-2.0093,2.1837;8.0496,-2.366,1.1866;8.8014,-.7612,-2.7225;9.6474,-1.7583,-.5983;-7.0143,-1.4148,-3.2437;-5.3107,-1.1457,-2.8347;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1948293 0.0366589 0.0348221</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.026749" y3="1.278298" z3="-1.651291">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.490896" y3="0.237491" z3="-0.090869">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.923508" y3="0.543277" z3="2.765487">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.908189" y3="2.572358" z3="3.296194">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.537563" y3="1.393547" z3="-0.378632">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.713601" y3="0.51424" z3="2.769824">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.265096" y3="-3.689831" z3="-2.089565">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.20399" y3="-2.358515" z3="-0.253774">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.148699" y3="1.746044" z3="1.018785">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.547026" y3="0.331141" z3="-0.024419">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-6.64483" y3="-0.099623" z3="-1.78978">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.758139" y3="1.7290" z3="-0.617995">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="5.188033" y3="-3.714678" z3="1.122823">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-7.784779" y3="0.538293" z3="-2.134853">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-7.830552" y3="1.633766" z3="-1.440802">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.646165" y3="2.09232" z3="-0.156077">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.883332" y3="1.455575" z3="0.564523">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.877774" y3="1.132837" z3="1.706875">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.541615" y3="1.748888" z3="1.117732">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.278652" y3="1.897467" z3="-0.005457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.721777" y3="1.978342" z3="-1.410715">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.77453" y3="1.956417" z3="0.088523">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.830372" y3="0.399219" z3="-0.498227">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.116589" y3="1.593045" z3="2.543452">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.28364" y3="-0.857088" z3="-1.255736">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.763219" y3="-1.150468" z3="-1.106033">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.309142" y3="-1.759927" z3="0.045431">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.630211" y3="-0.797222" z3="-2.145773">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-6.02209" y3="0.642108" z3="-0.846413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.457297" y3="-2.214914" z3="1.202821">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.690814" y3="-1.978653" z3="0.127782">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.002633" y3="-1.030555" z3="-2.061918">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.538742" y3="-1.621602" z3="-0.91846">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-6.251785" y3="-1.348512" z3="-2.432723">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.254516" y3="-2.594709" z3="-1.485917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="2.00077" y3="-0.494797" z3="-0.227917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="6.060174" y3="-4.248277" z3="1.177672">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.582845" y3="-4.025875" z3="1.889028">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.733038" y3="-3.969966" z3="0.241984">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.711288" y3="3.170328" z3="-0.324922">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.648924" y3="2.188557" z3="0.822856">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.72631" y3="3.009395" z3="-1.783604">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.356188" y3="1.393488" z3="-2.085626">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.202585" y3="2.566629" z3="-0.710007">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.10239" y3="2.364984" z3="1.045322">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.660135" y3="-1.711571" z3="-0.974985">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.065555" y3="-0.669861" z3="-2.312375">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.218626" y3="-0.333269" z3="-3.037243">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.480149" y3="-1.738783" z3="1.256969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.960884" y3="-2.065236" z3="2.157801">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="8.10611" y3="-2.432994" z3="1.024013">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.649199" y3="-0.748753" z3="-2.887157">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.606047" y3="-1.800004" z3="-0.837463">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-6.93634" y3="-1.497399" z3="-3.266771">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-5.240681" y3="-1.217182" z3="-2.833058">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0267,1.2783,-1.6513;-4.4909,.2375,-.0909;.9235,.5433,2.7655;-1.9082,2.5724,3.2962;4.5376,1.3935,-.3786;-2.7136,.5142,2.7698;-6.2651,-3.6898,-2.0896;-6.204,-2.3585,-.2538;-.1487,1.746,1.0188;2.547,.3311,-.0244;-6.6448,-.0996,-1.7898;-6.7581,1.729,-.618;5.188,-3.7147,1.1228;-7.7848,.5383,-2.1349;-7.8306,1.6338,-1.4408;.6462,2.0923,-.1561;1.8833,1.4556,.5645;.8778,1.1328,1.7069;-1.5416,1.7489,1.1177;-2.2787,1.8975,-.0055;-1.7218,1.9783,-1.4107;-3.7745,1.9564,.0885;3.8304,.3992,-.4982;-2.1166,1.593,2.5435;4.2836,-.8571,-1.2557;5.7632,-1.1505,-1.106;6.3091,-1.7599,.0454;6.6302,-.7972,-2.1458;-6.0221,.6421,-.8464;5.4573,-2.2149,1.2028;7.6908,-1.9787,.1278;8.0026,-1.0306,-2.0619;8.5387,-1.6216,-.9185;-6.2518,-1.3485,-2.4327;-6.2545,-2.5947,-1.4859;2.0008,-.4948,-.2279;6.0602,-4.2483,1.1777;4.5828,-4.0259,1.889;4.733,-3.97,.242;.7113,3.1703,-.3249;2.6489,2.1886,.8229;-1.7263,3.0094,-1.7836;-2.3562,1.3935,-2.0856;-4.2026,2.5666,-.71;-4.1024,2.365,1.0453;3.6601,-1.7116,-.975;4.0656,-.6699,-2.3124;6.2186,-.3333,-3.0372;4.4801,-1.7388,1.257;5.9609,-2.0652,2.1578;8.1061,-2.433,1.024;8.6492,-.7488,-2.8872;9.606,-1.8,-.8375;-6.9363,-1.4974,-3.2668;-5.2407,-1.2172,-2.8331;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1887637 0.0370101 0.0349252</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.080576" y3="1.262417" z3="-1.672936">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.520998" y3="0.229644" z3="-0.055068">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.993784" y3="0.495676" z3="2.707802">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.886447" y3="2.505679" z3="3.327685">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.540961" y3="1.385161" z3="-0.449141">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.626186" y3="0.424627" z3="2.799749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.287882" y3="-3.662631" z3="-2.106422">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.286433" y3="-2.340152" z3="-0.263132">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.135051" y3="1.712761" z3="1.003508">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.548291" y3="0.320726" z3="-0.117193">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-6.640556" y3="-0.069746" z3="-1.802175">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.765483" y3="1.746193" z3="-0.612007">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="5.146073" y3="-3.659073" z3="1.153283">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-7.772849" y3="0.576262" z3="-2.157725">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-7.825124" y3="1.664601" z3="-1.453082">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.628228" y3="2.068516" z3="-0.190656">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.886905" y3="1.435793" z3="0.493739">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.912894" y3="1.094792" z3="1.657121">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.526055" y3="1.707996" z3="1.135376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.29041" y3="1.871933" z3="0.031405">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.765158" y3="1.97041" z3="-1.385447">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.784294" y3="1.93833" z3="0.157246">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.837978" y3="0.388476" z3="-0.573734">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.069673" y3="1.5245" z3="2.570816">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.310029" y3="-0.873515" z3="-1.309661">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.787121" y3="-1.157758" z3="-1.122756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.309425" y3="-1.738897" z3="0.053583">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.675988" y3="-0.821934" z3="-2.149936">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-6.034218" y3="0.655069" z3="-0.83545">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.433188" y3="-2.16151" z3="1.205431">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.689821" y3="-1.950892" z3="0.171172">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.047004" y3="-1.048298" z3="-2.030792">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.559548" y3="-1.613525" z3="-0.863635">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-6.248884" y3="-1.321608" z3="-2.440082">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.293198" y3="-2.570726" z3="-1.497167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="2.008929" y3="-0.512434" z3="-0.309422">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="6.01091" y3="-4.203135" z3="1.220224">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.53555" y3="-3.948221" z3="1.923883">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.68888" y3="-3.925999" z3="0.27699">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.683226" y3="3.14782" z3="-0.354156">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.651205" y3="2.173564" z3="0.742298">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.768475" y3="3.007135" z3="-1.742001">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.419176" y3="1.401258" z3="-2.054789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.224429" y3="2.570854" z3="-0.616924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.090916" y3="2.321122" z3="1.130992">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.6854" y3="-1.727716" z3="-1.030978">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.113233" y3="-0.700172" z3="-2.37297">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.283096" y3="-0.377861" z3="-3.059735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.46112" y3="-1.672706" z3="1.2319">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.923136" y3="-1.99601" z3="2.164869">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="8.08752" y3="-2.380654" z3="1.087344">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.710918" y3="-0.780552" z3="-2.846868">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.62542" y3="-1.785673" z3="-0.755071">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-6.915086" y3="-1.458707" z3="-3.290951">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-5.226577" y3="-1.20442" z3="-2.81501">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0806,1.2624,-1.6729;-4.521,.2296,-.0551;.9938,.4957,2.7078;-1.8864,2.5057,3.3277;4.541,1.3852,-.4491;-2.6262,.4246,2.7997;-6.2879,-3.6626,-2.1064;-6.2864,-2.3402,-.2631;-.1351,1.7128,1.0035;2.5483,.3207,-.1172;-6.6406,-.0697,-1.8022;-6.7655,1.7462,-.612;5.1461,-3.6591,1.1533;-7.7728,.5763,-2.1577;-7.8251,1.6646,-1.4531;.6282,2.0685,-.1907;1.8869,1.4358,.4937;.9129,1.0948,1.6571;-1.5261,1.708,1.1354;-2.2904,1.8719,.0314;-1.7652,1.9704,-1.3854;-3.7843,1.9383,.1572;3.838,.3885,-.5737;-2.0697,1.5245,2.5708;4.31,-.8735,-1.3097;5.7871,-1.1578,-1.1228;6.3094,-1.7389,.0536;6.676,-.8219,-2.1499;-6.0342,.6551,-.8355;5.4332,-2.1615,1.2054;7.6898,-1.9509,.1712;8.047,-1.0483,-2.0308;8.5595,-1.6135,-.8636;-6.2489,-1.3216,-2.4401;-6.2932,-2.5707,-1.4972;2.0089,-.5124,-.3094;6.0109,-4.2031,1.2202;4.5355,-3.9482,1.9239;4.6889,-3.926,.277;.6832,3.1478,-.3542;2.6512,2.1736,.7423;-1.7685,3.0071,-1.742;-2.4192,1.4013,-2.0548;-4.2244,2.5709,-.6169;-4.0909,2.3211,1.131;3.6854,-1.7277,-1.031;4.1132,-.7002,-2.373;6.2831,-.3779,-3.0597;4.4611,-1.6727,1.2319;5.9231,-1.996,2.1649;8.0875,-2.3807,1.0873;8.7109,-.7806,-2.8469;9.6254,-1.7857,-.7551;-6.9151,-1.4587,-3.291;-5.2266,-1.2044,-2.815;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1907392 0.0368607 0.0349039</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.117648" y3="1.333762" z3="-1.760114">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.456271" y3="0.193852" z3="-0.064166">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="1.162411" y3="0.621419" z3="2.605825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-2.133543" y3="2.446186" z3="3.258064">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.613624" y3="1.390514" z3="-0.486647">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.209332" y3="0.229719" z3="2.768233">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.152352" y3="-3.668458" z3="-2.142541">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.248293" y3="-2.406091" z3="-0.257574">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.081602" y3="1.771942" z3="0.927519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.561974" y3="0.409471" z3="-0.304885">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-6.645185" y3="-0.102326" z3="-1.718451">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.802534" y3="1.622168" z3="-0.402008">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.9499" y3="-3.660797" z3="1.079679">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-7.829827" y3="0.496824" z3="-1.971736">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-7.901905" y3="1.530307" z3="-1.190612">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.632756" y3="2.136449" z3="-0.298363">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.925425" y3="1.526105" z3="0.333058">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="1.011091" y3="1.185172" z3="1.54478">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.467616" y3="1.727726" z3="1.097487">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.270304" y3="1.900997" z3="0.020623">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.791488" y3="2.040866" z3="-1.409627">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.75823" y3="1.918986" z3="0.201119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.880056" y3="0.426108" z3="-0.674505">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-1.98498" y3="1.439151" z3="2.526568">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.356832" y3="-0.851709" z3="-1.379249">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.81441" y3="-1.165392" z3="-1.108869">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.252745" y3="-1.764911" z3="0.091252">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.77104" y3="-0.825079" z3="-2.072166">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-6.026805" y3="0.593196" z3="-0.738243">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.29347" y3="-2.177868" z3="1.179497">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.62115" y3="-1.99427" z3="0.294806">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.128865" y3="-1.069366" z3="-1.868375">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.558973" y3="-1.655325" z3="-0.678185">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-6.244096" y3="-1.322061" z3="-2.407215">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.227498" y3="-2.59879" z3="-1.497035">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="2.010075" y3="-0.416066" z3="-0.494476">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.788181" y3="-4.242924" z3="1.164875">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.301291" y3="-3.942618" z3="1.821357">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.51236" y3="-3.890138" z3="0.182793">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.666375" y3="3.217044" z3="-0.457396">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.694804" y3="2.270764" z3="0.543017">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.795264" y3="3.086885" z3="-1.737475">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.46736" y3="1.493966" z3="-2.075047">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.252335" y3="2.567246" z3="-0.525621">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.032256" y3="2.239492" z3="1.205518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.7005" y3="-1.690841" z3="-1.129249">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.222066" y3="-0.680392" z3="-2.452783">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.442889" y3="-0.362125" z3="-2.998025">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.341187" y3="-1.650641" z3="1.152826">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.72902" y3="-2.047607" z3="2.170257">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.956761" y3="-2.433638" z3="1.230737">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.847074" y3="-0.796902" z3="-2.635406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.613806" y3="-1.84047" z3="-0.50358">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-6.934577" y3="-1.45288" z3="-3.239982">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-5.238163" y3="-1.169844" z3="-2.810944">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1176,1.3338,-1.7601;-4.4563,.1939,-.0642;1.1624,.6214,2.6058;-2.1335,2.4462,3.2581;4.6136,1.3905,-.4866;-2.2093,.2297,2.7682;-6.1524,-3.6685,-2.1425;-6.2483,-2.4061,-.2576;-.0816,1.7719,.9275;2.562,.4095,-.3049;-6.6452,-.1023,-1.7185;-6.8025,1.6222,-.402;4.9499,-3.6608,1.0797;-7.8298,.4968,-1.9717;-7.9019,1.5303,-1.1906;.6328,2.1364,-.2984;1.9254,1.5261,.3331;1.0111,1.1852,1.5448;-1.4676,1.7277,1.0975;-2.2703,1.901,.0206;-1.7915,2.0409,-1.4096;-3.7582,1.919,.2011;3.8801,.4261,-.6745;-1.985,1.4392,2.5266;4.3568,-.8517,-1.3792;5.8144,-1.1654,-1.1089;6.2527,-1.7649,.0913;6.771,-.8251,-2.0722;-6.0268,.5932,-.7382;5.2935,-2.1779,1.1795;7.6212,-1.9943,.2948;8.1289,-1.0694,-1.8684;8.559,-1.6553,-.6782;-6.2441,-1.3221,-2.4072;-6.2275,-2.5988,-1.497;2.0101,-.4161,-.4945;5.7882,-4.2429,1.1649;4.3013,-3.9426,1.8214;4.5124,-3.8901,.1828;.6664,3.217,-.4574;2.6948,2.2708,.543;-1.7953,3.0869,-1.7375;-2.4674,1.494,-2.075;-4.2523,2.5672,-.5256;-4.0323,2.2395,1.2055;3.7005,-1.6908,-1.1292;4.2221,-.6804,-2.4528;6.4429,-.3621,-2.998;4.3412,-1.6506,1.1528;5.729,-2.0476,2.1703;7.9568,-2.4336,1.2307;8.8471,-.7969,-2.6354;9.6138,-1.8405,-.5036;-6.9346,-1.4529,-3.24;-5.2382,-1.1698,-2.8109;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1929538 0.0370629 0.0351153</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.111057" y3="1.178109" z3="-1.652186">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.610522" y3="0.258973" z3="-0.034654">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.9284" y3="0.316462" z3="2.692697">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.677743" y3="2.393443" z3="3.384304">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.478561" y3="1.345134" z3="-0.492702">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.826429" y3="0.517123" z3="2.828741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.444242" y3="-3.590242" z3="-2.124691">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.383388" y3="-2.260191" z3="-0.289173">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.161741" y3="1.609773" z3="1.021925">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.534859" y3="0.215273" z3="-0.092215">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-6.677707" y3="0.013795" z3="-1.851129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.763655" y3="1.859963" z3="-0.704217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="5.31522" y3="-3.608418" z3="1.249295">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-7.768209" y3="0.699362" z3="-2.25818">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-7.793338" y3="1.80754" z3="-1.583414">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.607096" y3="1.968882" z3="-0.165551">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.857783" y3="1.318293" z3="0.520426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.87033" y3="0.957953" z3="1.665062">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.55264" y3="1.634892" z3="1.158849">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.314576" y3="1.817229" z3="0.05642">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.78718" y3="1.904394" z3="-1.361028">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.807379" y3="1.935511" z3="0.176203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.807387" y3="0.323696" z3="-0.587788">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.079109" y3="1.49913" z3="2.605718">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.309132" y3="-0.93398" z3="-1.311282">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.797694" y3="-1.164814" z3="-1.138887">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.358744" y3="-1.68521" z3="0.048573">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.658387" y3="-0.842528" z3="-2.194017">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-6.074182" y3="0.732989" z3="-0.878341">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.520985" y3="-2.097144" z3="1.232293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.746168" y3="-1.852337" z3="0.147683">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.037714" y3="-1.022228" z3="-2.091611">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.587538" y3="-1.527525" z3="-0.914095">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-6.305943" y3="-1.254455" z3="-2.470615">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.401196" y3="-2.496083" z3="-1.522473">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="2.012643" y3="-0.630135" z3="-0.277561">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="6.210275" y3="-4.098211" z3="1.333704">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.725999" y3="-3.896712" z3="2.036472">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.869839" y3="-3.938651" z3="0.388513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.672501" y3="3.048893" z3="-0.321707">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.617965" y3="2.053007" z3="0.789007">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.781402" y3="2.94052" z3="-1.719581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.44872" y3="1.341536" z3="-2.028624">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.216578" y3="2.584357" z3="-0.601586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.110318" y3="2.337797" z3="1.143912">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.716098" y3="-1.802648" z3="-1.009609">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.092032" y3="-0.785486" z3="-2.374317">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.236436" y3="-0.446549" z3="-3.112965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.524969" y3="-1.659685" z3="1.255966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="6.015679" y3="-1.865681" z3="2.175467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="8.17025" y3="-2.241094" z3="1.070216">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.678745" y3="-0.766702" z3="-2.929593">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.659754" y3="-1.664756" z3="-0.819048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-6.957237" y3="-1.378616" z3="-3.334658">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-5.273044" y3="-1.167156" z3="-2.824608">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1111,1.1781,-1.6522;-4.6105,.259,-.0347;.9284,.3165,2.6927;-1.6777,2.3934,3.3843;4.4786,1.3451,-.4927;-2.8264,.5171,2.8287;-6.4442,-3.5902,-2.1247;-6.3834,-2.2602,-.2892;-.1617,1.6098,1.0219;2.5349,.2153,-.0922;-6.6777,.0138,-1.8511;-6.7637,1.86,-.7042;5.3152,-3.6084,1.2493;-7.7682,.6994,-2.2582;-7.7933,1.8075,-1.5834;.6071,1.9689,-.1656;1.8578,1.3183,.5204;.8703,.958,1.6651;-1.5526,1.6349,1.1588;-2.3146,1.8172,.0564;-1.7872,1.9044,-1.361;-3.8074,1.9355,.1762;3.8074,.3237,-.5878;-2.0791,1.4991,2.6057;4.3091,-.934,-1.3113;5.7977,-1.1648,-1.1389;6.3587,-1.6852,.0486;6.6584,-.8425,-2.194;-6.0742,.733,-.8783;5.521,-2.0971,1.2323;7.7462,-1.8523,.1477;8.0377,-1.0222,-2.0916;8.5875,-1.5275,-.9141;-6.3059,-1.2545,-2.4706;-6.4012,-2.4961,-1.5225;2.0126,-.6301,-.2776;6.2103,-4.0982,1.3337;4.726,-3.8967,2.0365;4.8698,-3.9387,.3885;.6725,3.0489,-.3217;2.618,2.053,.789;-1.7814,2.9405,-1.7196;-2.4487,1.3415,-2.0286;-4.2166,2.5844,-.6016;-4.1103,2.3378,1.1439;3.7161,-1.8026,-1.0096;4.092,-.7855,-2.3743;6.2364,-.4465,-3.113;4.525,-1.6597,1.256;6.0157,-1.8657,2.1755;8.1702,-2.2411,1.0702;8.6787,-.7667,-2.9296;9.6598,-1.6648,-.819;-6.9572,-1.3786,-3.3347;-5.273,-1.1672,-2.8246;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1939371 0.0363804 0.0346132</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.137687" y3="1.269132" z3="-1.760036">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.513162" y3="0.204048" z3="-0.069454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="1.134094" y3="0.522635" z3="2.591078">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-2.021117" y3="2.426236" z3="3.280715">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.584631" y3="1.356772" z3="-0.520164">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.30972" y3="0.231025" z3="2.781208">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.284539" y3="-3.614104" z3="-2.162247">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.319277" y3="-2.349905" z3="-0.277104">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.093195" y3="1.706417" z3="0.925039">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.555395" y3="0.337854" z3="-0.304771">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-6.697641" y3="-0.038287" z3="-1.73748">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.815541" y3="1.6967" z3="-0.430059">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="5.066708" y3="-3.639788" z3="1.146149">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-7.866289" y3="0.588521" z3="-1.996857">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-7.910975" y3="1.631586" z3="-1.226375">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.621822" y3="2.067653" z3="-0.300443">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.911854" y3="1.450266" z3="0.331689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.992645" y3="1.103902" z3="1.537734">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.479338" y3="1.676787" z3="1.099691">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.28262" y3="1.859043" z3="0.024761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.803559" y3="1.993228" z3="-1.406416">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.771088" y3="1.908593" z3="0.204712">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.867575" y3="0.377292" z3="-0.692729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-1.986943" y3="1.417834" z3="2.538095">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.366697" y3="-0.901266" z3="-1.380145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.83334" y3="-1.173494" z3="-1.113154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.295778" y3="-1.730802" z3="0.098554">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.774325" y3="-0.833804" z3="-2.092009">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-6.067261" y3="0.644156" z3="-0.755903">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.357624" y3="-2.143984" z3="1.204811">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.670603" y3="-1.921631" z3="0.296175">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.139392" y3="-1.0383" z3="-1.892738">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.592711" y3="-1.583332" z3="-0.691845">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-6.320241" y3="-1.265673" z3="-2.426923">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.321755" y3="-2.542631" z3="-1.517034">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="2.012457" y3="-0.494529" z3="-0.489851">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.926326" y3="-4.187383" z3="1.245602">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.430077" y3="-3.925276" z3="1.89663">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.636846" y3="-3.908233" z3="0.256273">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.660956" y3="3.148247" z3="-0.45873">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.680561" y3="2.193635" z3="0.547721">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.79714" y3="3.039446" z3="-1.733801">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.486222" y3="1.454194" z3="-2.071397">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.247364" y3="2.573098" z3="-0.519211">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.042518" y3="2.234979" z3="1.208357">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.731714" y3="-1.751072" z3="-1.11175">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.220831" y3="-0.75103" z3="-2.455392">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.428017" y3="-0.402814" z3="-3.026641">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.387037" y3="-1.651847" z3="1.172341">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.794835" y3="-1.973861" z3="2.188749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="8.022734" y3="-2.331889" z3="1.2390">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.844877" y3="-0.767801" z3="-2.672159">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.652995" y3="-1.73863" z3="-0.521213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-7.015579" y3="-1.383217" z3="-3.257482">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-5.313037" y3="-1.131908" z3="-2.834226">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1377,1.2691,-1.76;-4.5132,.204,-.0695;1.1341,.5226,2.5911;-2.0211,2.4262,3.2807;4.5846,1.3568,-.5202;-2.3097,.231,2.7812;-6.2845,-3.6141,-2.1622;-6.3193,-2.3499,-.2771;-.0932,1.7064,.925;2.5554,.3379,-.3048;-6.6976,-.0383,-1.7375;-6.8155,1.6967,-.4301;5.0667,-3.6398,1.1461;-7.8663,.5885,-1.9969;-7.911,1.6316,-1.2264;.6218,2.0677,-.3004;1.9119,1.4503,.3317;.9926,1.1039,1.5377;-1.4793,1.6768,1.0997;-2.2826,1.859,.0248;-1.8036,1.9932,-1.4064;-3.7711,1.9086,.2047;3.8676,.3773,-.6927;-1.9869,1.4178,2.5381;4.3667,-.9013,-1.3801;5.8333,-1.1735,-1.1132;6.2958,-1.7308,.0986;6.7743,-.8338,-2.092;-6.0673,.6442,-.7559;5.3576,-2.144,1.2048;7.6706,-1.9216,.2962;8.1394,-1.0383,-1.8927;8.5927,-1.5833,-.6918;-6.3202,-1.2657,-2.4269;-6.3218,-2.5426,-1.517;2.0125,-.4945,-.4899;5.9263,-4.1874,1.2456;4.4301,-3.9253,1.8966;4.6368,-3.9082,.2563;.661,3.1482,-.4587;2.6806,2.1936,.5477;-1.7971,3.0394,-1.7338;-2.4862,1.4542,-2.0714;-4.2474,2.5731,-.5192;-4.0425,2.235,1.2084;3.7317,-1.7511,-1.1118;4.2208,-.751,-2.4554;6.428,-.4028,-3.0266;4.387,-1.6518,1.1723;5.7948,-1.9739,2.1887;8.0227,-2.3319,1.239;8.8449,-.7678,-2.6722;9.653,-1.7386,-.5212;-7.0156,-1.3832,-3.2575;-5.313,-1.1319,-2.8342;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1960798 0.0365965 0.0348137</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.009427" y3="1.468864" z3="-1.762281">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.608063" y3="0.336376" z3="-0.178228">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="1.055619" y3="0.616301" z3="2.603743">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.988988" y3="2.538153" z3="3.232674">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.713295" y3="1.595685" z3="-0.038344">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.243474" y3="0.349978" z3="2.776664">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.06985" y3="-3.778736" z3="-0.794503">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.302355" y3="-1.875219" z3="0.403067">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.111151" y3="1.8576" z3="0.92181">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.644714" y3="0.605035" z3="-0.209352">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-6.643243" y3="-0.388471" z3="-1.80423">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.877468" y3="1.661711" z3="-1.100285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.654312" y3="-3.794548" z3="0.415295">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-7.815659" y3="0.055871" z3="-2.290607">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-7.92634" y3="1.286377" z3="-1.87849">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.664243" y3="2.25701" z3="-0.254664">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.932153" y3="1.655142" z3="0.442017">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.955996" y3="1.244243" z3="1.571814">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.50132" y3="1.813877" z3="1.037975">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.279034" y3="1.984587" z3="-0.072325">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.7206" y3="2.124303" z3="-1.478623">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.787412" y3="2.037299" z3="-0.006665">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.99657" y3="0.681566" z3="-0.437859">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-1.967928" y3="1.536786" z3="2.487766">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.508641" y3="-0.472673" z3="-1.307475">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.909596" y3="-0.972695" z3="-0.992038">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.191285" y3="-1.885619" z3="0.053051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.976402" y3="-0.550009" z3="-1.795714">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-6.105528" y3="0.583124" z3="-1.04484">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.135866" y3="-2.456129" z3="0.9690">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.499177" y3="-2.344387" z3="0.252939">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.280104" y3="-0.999422" z3="-1.579467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.54657" y3="-1.904071" z3="-0.5507">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-6.158753" y3="-1.746248" z3="-1.997307">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.179856" y3="-2.547698" z3="-0.645875">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="2.138973" y3="-0.211398" z3="-0.52464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.433763" y3="-4.445176" z3="0.353631">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="3.93008" y3="-4.220701" z3="0.993329">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.260486" y3="-3.704012" z3="-0.527478">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.686969" y3="3.344198" z3="-0.379401">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.676789" y3="2.387511" z3="0.740843">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.717628" y3="3.173802" z3="-1.796071">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.358351" y3="1.580799" z3="-2.183977">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.195956" y3="2.674945" z3="-0.796178">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.147559" y3="2.425285" z3="0.946289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.781102" y3="-1.284301" z3="-1.29083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.477821" y3="-0.094199" z3="-2.336555">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.77681" y3="0.138841" z3="-2.611225">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.238084" y3="-1.856582" z3="1.069581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.524622" y3="-2.64128" z3="1.97211">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.682611" y3="-3.059019" z3="1.05523">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="9.083343" y3="-0.652416" z3="-2.222012">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.55466" y3="-2.266841" z3="-0.377613">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-6.775911" y3="-2.212062" z3="-2.766567">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-5.127154" y3="-1.714567" z3="-2.357072">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0094,1.4689,-1.7623;-4.6081,.3364,-.1782;1.0556,.6163,2.6037;-1.989,2.5382,3.2327;4.7133,1.5957,-.0383;-2.2435,.35,2.7767;-6.0698,-3.7787,-.7945;-6.3024,-1.8752,.4031;-.1112,1.8576,.9218;2.6447,.605,-.2094;-6.6432,-.3885,-1.8042;-6.8775,1.6617,-1.1003;4.6543,-3.7945,.4153;-7.8157,.0559,-2.2906;-7.9263,1.2864,-1.8785;.6642,2.257,-.2547;1.9322,1.6551,.442;.956,1.2442,1.5718;-1.5013,1.8139,1.038;-2.279,1.9846,-.0723;-1.7206,2.1243,-1.4786;-3.7874,2.0373,-.0067;3.9966,.6816,-.4379;-1.9679,1.5368,2.4878;4.5086,-.4727,-1.3075;5.9096,-.9727,-.992;6.1913,-1.8856,.0531;6.9764,-.55,-1.7957;-6.1055,.5831,-1.0448;5.1359,-2.4561,.969;7.4992,-2.3444,.2529;8.2801,-.9994,-1.5795;8.5466,-1.9041,-.5507;-6.1588,-1.7462,-1.9973;-6.1799,-2.5477,-.6459;2.139,-.2114,-.5246;5.4338,-4.4452,.3536;3.9301,-4.2207,.9933;4.2605,-3.704,-.5275;.687,3.3442,-.3794;2.6768,2.3875,.7408;-1.7176,3.1738,-1.7961;-2.3584,1.5808,-2.184;-4.196,2.6749,-.7962;-4.1476,2.4253,.9463;3.7811,-1.2843,-1.2908;4.4778,-.0942,-2.3366;6.7768,.1388,-2.6112;4.2381,-1.8566,1.0696;5.5246,-2.6413,1.9721;7.6826,-3.059,1.0552;9.0833,-.6524,-2.222;9.5547,-2.2668,-.3776;-6.7759,-2.2121,-2.7666;-5.1272,-1.7146,-2.3571;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1904551 0.0368367 0.0350246</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.108317" y3="1.328742" z3="-1.776057">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.525908" y3="0.241932" z3="-0.053535">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="1.136352" y3="0.564361" z3="2.568147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.959012" y3="2.491268" z3="3.264391">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.641697" y3="1.451764" z3="-0.371858">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.304376" y3="0.301806" z3="2.786388">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.333149" y3="-3.761013" z3="-1.682623">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.418236" y3="-2.262156" z3="0.019178">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.087775" y3="1.763085" z3="0.907559">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.596026" y3="0.440883" z3="-0.313118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-6.664303" y3="-0.153051" z3="-1.741162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.783458" y3="1.73002" z3="-0.656794">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.890926" y3="-3.736515" z3="0.854015">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-7.815769" y3="0.451148" z3="-2.10623">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-7.863108" y3="1.5780" z3="-1.464138">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.63364" y3="2.134737" z3="-0.311541">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.925542" y3="1.531343" z3="0.331744">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.998189" y3="1.159188" z3="1.521829">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.474315" y3="1.727114" z3="1.078237">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.276306" y3="1.898255" z3="-0.000939">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.787009" y3="2.028407" z3="-1.430614">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.768065" y3="1.952135" z3="0.15915">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.925399" y3="0.4933" z3="-0.639418">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-1.964259" y3="1.47967" z3="2.525092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.438066" y3="-0.737615" z3="-1.398471">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.878769" y3="-1.083843" z3="-1.078037">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.25605" y3="-1.786677" z3="0.087151">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.883576" y3="-0.689587" z3="-1.96962">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-6.049616" y3="0.633042" z3="-0.829504">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.251588" y3="-2.274723" z3="1.101816">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.60899" y3="-2.06908" z3="0.322981">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.227187" y3="-0.97602" z3="-1.728676">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.595021" y3="-1.669938" z3="-0.576315">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-6.294334" y3="-1.466762" z3="-2.252435">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.365275" y3="-2.614173" z3="-1.183516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="2.063848" y3="-0.385731" z3="-0.547913">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.718824" y3="-4.333785" z3="0.9228">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.205121" y3="-4.076117" z3="1.53443">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.491793" y3="-3.879002" z3="-0.078392">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.661481" y3="3.216503" z3="-0.465293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.682447" y3="2.279482" z3="0.569181">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.789497" y3="3.073637" z3="-1.761229">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.459805" y3="1.480767" z3="-2.098512">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.23223" y3="2.594787" z3="-0.592278">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.059345" y3="2.313208" z3="1.145287">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.764088" y3="-1.584826" z3="-1.243148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.356273" y3="-0.493739" z3="-2.463667">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.604429" y3="-0.150918" z3="-2.870243">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.308081" y3="-1.732258" z3="1.091713">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.652883" y3="-2.239594" z3="2.114832">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.88912" y3="-2.604746" z3="1.226516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.982529" y3="-0.658152" z3="-2.440551">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.637222" y3="-1.89631" z3="-0.376258">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-6.960378" y3="-1.67689" z3="-3.089044">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-5.269662" y3="-1.408573" z3="-2.631971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1083,1.3287,-1.7761;-4.5259,.2419,-.0535;1.1364,.5644,2.5681;-1.959,2.4913,3.2644;4.6417,1.4518,-.3719;-2.3044,.3018,2.7864;-6.3331,-3.761,-1.6826;-6.4182,-2.2622,.0192;-.0878,1.7631,.9076;2.596,.4409,-.3131;-6.6643,-.1531,-1.7412;-6.7835,1.73,-.6568;4.8909,-3.7365,.854;-7.8158,.4511,-2.1062;-7.8631,1.578,-1.4641;.6336,2.1347,-.3115;1.9255,1.5313,.3317;.9982,1.1592,1.5218;-1.4743,1.7271,1.0782;-2.2763,1.8983,-.0009;-1.787,2.0284,-1.4306;-3.7681,1.9521,.1592;3.9254,.4933,-.6394;-1.9643,1.4797,2.5251;4.4381,-.7376,-1.3985;5.8788,-1.0838,-1.078;6.2561,-1.7867,.0872;6.8836,-.6896,-1.9696;-6.0496,.633,-.8295;5.2516,-2.2747,1.1018;7.609,-2.0691,.323;8.2272,-.976,-1.7287;8.595,-1.6699,-.5763;-6.2943,-1.4668,-2.2524;-6.3653,-2.6142,-1.1835;2.0638,-.3857,-.5479;5.7188,-4.3338,.9228;4.2051,-4.0761,1.5344;4.4918,-3.879,-.0784;.6615,3.2165,-.4653;2.6824,2.2795,.5692;-1.7895,3.0736,-1.7612;-2.4598,1.4808,-2.0985;-4.2322,2.5948,-.5923;-4.0593,2.3132,1.1453;3.7641,-1.5848,-1.2431;4.3563,-.4937,-2.4637;6.6044,-.1509,-2.8702;4.3081,-1.7323,1.0917;5.6529,-2.2396,2.1148;7.8891,-2.6047,1.2265;8.9825,-.6582,-2.4406;9.6372,-1.8963,-.3763;-6.9604,-1.6769,-3.089;-5.2697,-1.4086,-2.632;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1934585 0.0365779 0.0348150</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.111813" y3="1.178877" z3="-1.653816">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.609475" y3="0.259985" z3="-0.031259">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.932786" y3="0.320879" z3="2.690917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.677125" y3="2.398147" z3="3.383106">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.480579" y3="1.345568" z3="-0.495374">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.819202" y3="0.516962" z3="2.830441">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.445494" y3="-3.591988" z3="-2.112787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.384361" y3="-2.258934" z3="-0.279436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.159718" y3="1.612359" z3="1.020149">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.535691" y3="0.217327" z3="-0.096134">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-6.678864" y3="0.012497" z3="-1.844754">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.763885" y3="1.859837" z3="-0.699646">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="5.311433" y3="-3.609906" z3="1.244633">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-7.770185" y3="0.697195" z3="-2.251058">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-7.794798" y3="1.806029" z3="-1.577346">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.607836" y3="1.970658" z3="-0.168464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.859338" y3="1.320758" z3="0.516598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.873262" y3="0.961244" z3="1.662679">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.550483" y3="1.637222" z3="1.158426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.313608" y3="1.818858" z3="0.056668">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.787619" y3="1.905409" z3="-1.36136">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.806308" y3="1.936858" z3="0.177888">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.808572" y3="0.324728" z3="-0.591023">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.075585" y3="1.501403" z3="2.605807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.309647" y3="-0.933252" z3="-1.314433">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.797938" y3="-1.16535" z3="-1.141415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.357968" y3="-1.686983" z3="0.045977">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.659433" y3="-0.843058" z3="-2.195899">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-6.074315" y3="0.732899" z3="-0.873504">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.519255" y3="-2.098892" z3="1.229046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.745208" y3="-1.855409" z3="0.145632">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.03856" y3="-1.023963" z3="-2.092925">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.587379" y3="-1.530567" z3="-0.915499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-6.307903" y3="-1.256752" z3="-2.462622">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.402471" y3="-2.496844" z3="-1.512328">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="2.013098" y3="-0.627942" z3="-0.281044">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="6.205805" y3="-4.100991" z3="1.328697">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.721726" y3="-3.898154" z3="2.031455">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.865678" y3="-3.938784" z3="0.383522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.672953" y3="3.050575" z3="-0.325374">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.619834" y3="2.055641" z3="0.78381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.781996" y3="2.94139" z3="-1.72033">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.449867" y3="1.342383" z3="-2.028098">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.216519" y3="2.585212" z3="-0.599777">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.108352" y3="2.339437" z3="1.145742">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.715774" y3="-1.801487" z3="-1.013183">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.093121" y3="-0.784421" z3="-2.377545">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.238275" y3="-0.446107" z3="-3.114791">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.523805" y3="-1.660139" z3="1.25269">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="6.013891" y3="-1.868857" z3="2.172603">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="8.16849" y3="-2.24518" z3="1.068103">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.680222" y3="-0.768374" z3="-2.930404">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.65943" y3="-1.668792" z3="-0.82003">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-6.96005" y3="-1.382208" z3="-3.325843">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-5.275341" y3="-1.170207" z3="-2.817745">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1118,1.1789,-1.6538;-4.6095,.26,-.0313;.9328,.3209,2.6909;-1.6771,2.3981,3.3831;4.4806,1.3456,-.4954;-2.8192,.517,2.8304;-6.4455,-3.592,-2.1128;-6.3844,-2.2589,-.2794;-.1597,1.6124,1.0201;2.5357,.2173,-.0961;-6.6789,.0125,-1.8448;-6.7639,1.8598,-.6996;5.3114,-3.6099,1.2446;-7.7702,.6972,-2.2511;-7.7948,1.806,-1.5773;.6078,1.9707,-.1685;1.8593,1.3208,.5166;.8733,.9612,1.6627;-1.5505,1.6372,1.1584;-2.3136,1.8189,.0567;-1.7876,1.9054,-1.3614;-3.8063,1.9369,.1779;3.8086,.3247,-.591;-2.0756,1.5014,2.6058;4.3096,-.9333,-1.3144;5.7979,-1.1654,-1.1414;6.358,-1.687,.046;6.6594,-.8431,-2.1959;-6.0743,.7329,-.8735;5.5193,-2.0989,1.229;7.7452,-1.8554,.1456;8.0386,-1.024,-2.0929;8.5874,-1.5306,-.9155;-6.3079,-1.2568,-2.4626;-6.4025,-2.4968,-1.5123;2.0131,-.6279,-.281;6.2058,-4.101,1.3287;4.7217,-3.8982,2.0315;4.8657,-3.9388,.3835;.673,3.0506,-.3254;2.6198,2.0556,.7838;-1.782,2.9414,-1.7203;-2.4499,1.3424,-2.0281;-4.2165,2.5852,-.5998;-4.1084,2.3394,1.1457;3.7158,-1.8015,-1.0132;4.0931,-.7844,-2.3775;6.2383,-.4461,-3.1148;4.5238,-1.6601,1.2527;6.0139,-1.8689,2.1726;8.1685,-2.2452,1.0681;8.6802,-.7684,-2.9304;9.6594,-1.6688,-.82;-6.96,-1.3822,-3.3258;-5.2753,-1.1702,-2.8177;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1939386 0.0363795 0.0346144</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.154856" y3="1.180329" z3="-1.638003">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.567422" y3="0.204696" z3="-0.00284">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="1.01506" y3="0.488834" z3="2.694147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.376844" y3="2.509032" z3="3.402895">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.509554" y3="1.403107" z3="-0.4772">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.834899" y3="0.824372" z3="2.987036">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.448404" y3="-3.709998" z3="-1.899102">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.428808" y3="-2.241018" z3="-0.170538">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.125643" y3="1.718606" z3="1.016269">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.539484" y3="0.303398" z3="-0.155569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-6.560677" y3="-0.08989" z3="-1.896267">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.660017" y3="1.8081" z3="-0.836014">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="5.09621" y3="-3.704923" z3="1.042165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-7.633873" y3="0.590107" z3="-2.362362">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-7.64213" y3="1.741032" z3="-1.765941">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.601135" y3="2.038098" z3="-0.208158">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.877024" y3="1.413428" z3="0.457261">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.924766" y3="1.089811" z3="1.643397">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.511914" y3="1.709459" z3="1.202203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.314946" y3="1.823739" z3="0.119642">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.826461" y3="1.896889" z3="-1.313042">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.812935" y3="1.894124" z3="0.260968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.815955" y3="0.405145" z3="-0.63908">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-1.967956" y3="1.677467" z3="2.6810">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.320065" y3="-0.843228" z3="-1.368214">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.791388" y3="-1.125144" z3="-1.133332">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.282704" y3="-1.747955" z3="0.036989">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.712596" y3="-0.732086" z3="-2.110555">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.989669" y3="0.658609" z3="-0.927655">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.391811" y3="-2.212742" z3="1.158845">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.658928" y3="-1.957918" z3="0.187204">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.08111" y3="-0.952314" z3="-1.956256">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.559755" y3="-1.569633" z3="-0.801622">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-6.212196" y3="-1.408141" z3="-2.413121">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.400844" y3="-2.571484" z3="-1.383695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.998445" y3="-0.524723" z3="-0.36549">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.95786" y3="-4.253736" z3="1.10962">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.465192" y3="-4.019401" z3="1.785876">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.661091" y3="-3.935397" z3="0.144595">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.652046" y3="3.111764" z3="-0.402838">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.63615" y3="2.160035" z3="0.697365">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.835081" y3="2.928362" z3="-1.684127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.499957" y3="1.321523" z3="-1.9568">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.244594" y3="2.544262" z3="-0.50182">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.132713" y3="2.270429" z3="1.233877">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.683565" y3="-1.704257" z3="-1.140535">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.167328" y3="-0.642485" z3="-2.434111">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.346466" y3="-0.246818" z3="-3.010332">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.425143" y3="-1.717492" z3="1.208729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.880878" y3="-2.098632" z3="2.125665">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="8.024504" y3="-2.429439" z3="1.095407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.768978" y3="-0.641496" z3="-2.736357">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.622406" y3="-1.743545" z3="-0.667641">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-6.830344" y3="-1.570139" z3="-3.295177">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-5.16276" y3="-1.383933" z3="-2.728019">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1549,1.1803,-1.638;-4.5674,.2047,-.0028;1.0151,.4888,2.6941;-1.3768,2.509,3.4029;4.5096,1.4031,-.4772;-2.8349,.8244,2.987;-6.4484,-3.71,-1.8991;-6.4288,-2.241,-.1705;-.1256,1.7186,1.0163;2.5395,.3034,-.1556;-6.5607,-.0899,-1.8963;-6.66,1.8081,-.836;5.0962,-3.7049,1.0422;-7.6339,.5901,-2.3624;-7.6421,1.741,-1.7659;.6011,2.0381,-.2082;1.877,1.4134,.4573;.9248,1.0898,1.6434;-1.5119,1.7095,1.2022;-2.3149,1.8237,.1196;-1.8265,1.8969,-1.313;-3.8129,1.8941,.261;3.816,.4051,-.6391;-1.968,1.6775,2.681;4.3201,-.8432,-1.3682;5.7914,-1.1251,-1.1333;6.2827,-1.748,.037;6.7126,-.7321,-2.1106;-5.9897,.6586,-.9277;5.3918,-2.2127,1.1588;7.6589,-1.9579,.1872;8.0811,-.9523,-1.9563;8.5598,-1.5696,-.8016;-6.2122,-1.4081,-2.4131;-6.4008,-2.5715,-1.3837;1.9984,-.5247,-.3655;5.9579,-4.2537,1.1096;4.4652,-4.0194,1.7859;4.6611,-3.9354,.1446;.652,3.1118,-.4028;2.6362,2.16,.6974;-1.8351,2.9284,-1.6841;-2.5,1.3215,-1.9568;-4.2446,2.5443,-.5018;-4.1327,2.2704,1.2339;3.6836,-1.7043,-1.1405;4.1673,-.6425,-2.4341;6.3465,-.2468,-3.0103;4.4251,-1.7175,1.2087;5.8809,-2.0986,2.1257;8.0245,-2.4294,1.0954;8.769,-.6415,-2.7364;9.6224,-1.7435,-.6676;-6.8303,-1.5701,-3.2952;-5.1628,-1.3839,-2.728;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1873158 0.0369555 0.0349517</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.201605" y3="1.196402" z3="-1.717164">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.61388" y3="0.226864" z3="0.042522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="1.098382" y3="0.264379" z3="2.524125">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.368298" y3="2.295117" z3="3.433436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.528864" y3="1.377968" z3="-0.591329">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.760135" y3="0.578601" z3="2.923445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.532707" y3="-3.645683" z3="-1.839935">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.535591" y3="-2.16777" z3="-0.115458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.100279" y3="1.600918" z3="0.962296">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.559916" y3="0.261102" z3="-0.336321">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-6.605675" y3="-0.026808" z3="-1.854287">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.688266" y3="1.864426" z3="-0.782973">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="5.034375" y3="-3.601703" z3="1.082773">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-7.664525" y3="0.668367" z3="-2.329889">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-7.685651" y3="1.800948" z3="-1.699152">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.593742" y3="1.97923" z3="-0.266176">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.890258" y3="1.33642" z3="0.335532">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.969708" y3="0.932657" z3="1.520375">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.483333" y3="1.602872" z3="1.18505">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.311132" y3="1.784918" z3="0.129945">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.861352" y3="1.904709" z3="-1.314186">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.800966" y3="1.8903" z3="0.314526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.851132" y3="0.374215" z3="-0.779898">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-1.919753" y3="1.4738" z3="2.664872">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.400682" y3="-0.86929" z3="-1.48678">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.859494" y3="-1.124946" z3="-1.166576">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.281767" y3="-1.686247" z3="0.057695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.83496" y3="-0.765643" z3="-2.104096">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-6.018756" y3="0.716567" z3="-0.890744">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.310987" y3="-2.101288" z3="1.133632">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.649564" y3="-1.867976" z3="0.305995">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.193422" y3="-0.961187" z3="-1.854922">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.606008" y3="-1.515238" z3="-0.643578">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-6.277153" y3="-1.353797" z3="-2.361655">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.489009" y3="-2.50648" z3="-1.324278">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="2.038363" y3="-0.578635" z3="-0.549109">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.890253" y3="-4.141293" z3="1.242312">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.354386" y3="-3.878857" z3="1.797624">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.662141" y3="-3.889108" z3="0.173262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.636285" y3="3.06119" z3="-0.410986">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.643314" y3="2.082801" z3="0.595473">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.877951" y3="2.948667" z3="-1.648288">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.5562" y3="1.354324" z3="-1.957073">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.242567" y3="2.56564" z3="-0.420906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.078912" y3="2.23857" z3="1.308446">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.771443" y3="-1.738493" z3="-1.272369">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.294326" y3="-0.685493" z3="-2.561777">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.521409" y3="-0.327363" z3="-3.046717">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.338831" y3="-1.616208" z3="1.06611">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.716284" y3="-1.915931" z3="2.128306">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.966985" y3="-2.280233" z3="1.260412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.925478" y3="-0.676053" z3="-2.603947">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.66036" y3="-1.662882" z3="-0.434139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-6.892442" y3="-1.511706" z3="-3.246857">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-5.225332" y3="-1.348872" z3="-2.667257">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2016,1.1964,-1.7172;-4.6139,.2269,.0425;1.0984,.2644,2.5241;-1.3683,2.2951,3.4334;4.5289,1.378,-.5913;-2.7601,.5786,2.9234;-6.5327,-3.6457,-1.8399;-6.5356,-2.1678,-.1155;-.1003,1.6009,.9623;2.5599,.2611,-.3363;-6.6057,-.0268,-1.8543;-6.6883,1.8644,-.783;5.0344,-3.6017,1.0828;-7.6645,.6684,-2.3299;-7.6857,1.8009,-1.6992;.5937,1.9792,-.2662;1.8903,1.3364,.3355;.9697,.9327,1.5204;-1.4833,1.6029,1.185;-2.3111,1.7849,.1299;-1.8614,1.9047,-1.3142;-3.801,1.8903,.3145;3.8511,.3742,-.7799;-1.9198,1.4738,2.6649;4.4007,-.8693,-1.4868;5.8595,-1.1249,-1.1666;6.2818,-1.6862,.0577;6.835,-.7656,-2.1041;-6.0188,.7166,-.8907;5.311,-2.1013,1.1336;7.6496,-1.868,.306;8.1934,-.9612,-1.8549;8.606,-1.5152,-.6436;-6.2772,-1.3538,-2.3617;-6.489,-2.5065,-1.3243;2.0384,-.5786,-.5491;5.8903,-4.1413,1.2423;4.3544,-3.8789,1.7976;4.6621,-3.8891,.1733;.6363,3.0612,-.411;2.6433,2.0828,.5955;-1.878,2.9487,-1.6483;-2.5562,1.3543,-1.9571;-4.2426,2.5656,-.4209;-4.0789,2.2386,1.3084;3.7714,-1.7385,-1.2724;4.2943,-.6855,-2.5618;6.5214,-.3274,-3.0467;4.3388,-1.6162,1.0661;5.7163,-1.9159,2.1283;7.967,-2.2802,1.2604;8.9255,-.6761,-2.6039;9.6604,-1.6629,-.4341;-6.8924,-1.5117,-3.2469;-5.2253,-1.3489,-2.6673;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1959694 0.0364597 0.0349201</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.310479" y3="1.167011" z3="-1.695097">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.701965" y3="0.281814" z3="0.204221">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="1.132089" y3="0.086409" z3="2.407772">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.022548" y3="2.112029" z3="3.52241">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.477182" y3="1.390863" z3="-0.688792">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.893458" y3="0.914856" z3="3.072694">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.486945" y3="-3.663452" z3="-1.685675">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.731551" y3="-2.080029" z3="-0.075378">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.095135" y3="1.554333" z3="0.980601">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.534188" y3="0.228579" z3="-0.45001">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-6.426506" y3="-0.05078" z3="-1.925384">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.612284" y3="1.901895" z3="-0.984885">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.899477" y3="-3.552055" z3="1.024576">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-7.394667" y3="0.629943" z3="-2.583617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-7.485973" y3="1.791603" z3="-2.016744">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.550969" y3="1.934924" z3="-0.273574">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.863161" y3="1.273754" z3="0.268029">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.975916" y3="0.824541" z3="1.458599">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.470067" y3="1.587417" z3="1.268462">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.340764" y3="1.774821" z3="0.247426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.946314" y3="1.882706" z3="-1.216551">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.825443" y3="1.917125" z3="0.465386">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.826027" y3="0.371059" z3="-0.886377">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-1.834931" y3="1.520534" z3="2.771995">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.412958" y3="-0.84996" z3="-1.599349">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.856757" y3="-1.101854" z3="-1.213337">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.221559" y3="-1.662726" z3="0.028522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.875441" y3="-0.742314" z3="-2.104492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.959794" y3="0.740343" z3="-0.934225">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.200167" y3="-2.055907" z3="1.066827">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.576922" y3="-1.853478" z3="0.33637">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.220772" y3="-0.942186" z3="-1.794262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.576867" y3="-1.503203" z3="-0.568105">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-6.075828" y3="-1.417811" z3="-2.293534">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.493408" y3="-2.494945" z3="-1.23652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="2.031179" y3="-0.624006" z3="-0.656608">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.740382" y3="-4.103768" z3="1.218053">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.193127" y3="-3.809111" z3="1.720901">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.550166" y3="-3.848474" z3="0.108742">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.597681" y3="3.017165" z3="-0.413666">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.610751" y3="2.021283" z3="0.541752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.970338" y3="2.927054" z3="-1.548292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.673768" y3="1.3385" z3="-1.827407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.264252" y3="2.606964" z3="-0.258399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.079512" y3="2.249345" z3="1.468412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.784541" y3="-1.728896" z3="-1.430768">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.354657" y3="-0.645003" z3="-2.674515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.607079" y3="-0.301577" z3="-3.059752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.239732" y3="-1.557202" z3="0.948451">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.566073" y3="-1.85996" z3="2.074955">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.848853" y3="-2.268636" z3="1.303545">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.986668" y3="-0.655611" z3="-2.508011">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.620136" y3="-1.656217" z3="-0.312341">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-6.553409" y3="-1.61645" z3="-3.252693">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.990488" y3="-1.46447" z3="-2.431001">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3105,1.167,-1.6951;-4.702,.2818,.2042;1.1321,.0864,2.4078;-1.0225,2.112,3.5224;4.4772,1.3909,-.6888;-2.8935,.9149,3.0727;-6.4869,-3.6635,-1.6857;-6.7316,-2.08,-.0754;-.0951,1.5543,.9806;2.5342,.2286,-.45;-6.4265,-.0508,-1.9254;-6.6123,1.9019,-.9849;4.8995,-3.5521,1.0246;-7.3947,.6299,-2.5836;-7.486,1.7916,-2.0167;.551,1.9349,-.2736;1.8632,1.2738,.268;.9759,.8245,1.4586;-1.4701,1.5874,1.2685;-2.3408,1.7748,.2474;-1.9463,1.8827,-1.2166;-3.8254,1.9171,.4654;3.826,.3711,-.8864;-1.8349,1.5205,2.772;4.413,-.85,-1.5993;5.8568,-1.1019,-1.2133;6.2216,-1.6627,.0285;6.8754,-.7423,-2.1045;-5.9598,.7403,-.9342;5.2002,-2.0559,1.0668;7.5769,-1.8535,.3364;8.2208,-.9422,-1.7943;8.5769,-1.5032,-.5681;-6.0758,-1.4178,-2.2935;-6.4934,-2.4949,-1.2365;2.0312,-.624,-.6566;5.7404,-4.1038,1.2181;4.1931,-3.8091,1.7209;4.5502,-3.8485,.1087;.5977,3.0172,-.4137;2.6108,2.0213,.5418;-1.9703,2.9271,-1.5483;-2.6738,1.3385,-1.8274;-4.2643,2.607,-.2584;-4.0795,2.2493,1.4684;3.7845,-1.7289,-1.4308;4.3547,-.645,-2.6745;6.6071,-.3016,-3.0598;4.2397,-1.5572,.9485;5.5661,-1.86,2.075;7.8489,-2.2686,1.3035;8.9867,-.6556,-2.508;9.6201,-1.6562,-.3123;-6.5534,-1.6164,-3.2527;-4.9905,-1.4645,-2.431;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1940231 0.0369096 0.0354064</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.389835" y3="1.320382" z3="-1.63508">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.731012" y3="0.389594" z3="0.389378">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="1.12401" y3="0.161289" z3="2.395781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.154289" y3="2.263523" z3="3.632847">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.43422" y3="1.445739" z3="-0.643984">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-2.909631" y3="0.940297" z3="3.089873">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-5.934969" y3="-3.794235" z3="-1.423679">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.758021" y3="-2.112813" z3="-0.140895">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.128573" y3="1.702978" z3="1.048923">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.431703" y3="0.362964" z3="-0.496396">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.984003" y3="-0.210376" z3="-1.986373">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.492471" y3="1.773701" z3="-1.245969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.689902" y3="-3.630316" z3="0.885135">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.857771" y3="0.339605" z3="-2.862136">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-7.134173" y3="1.524073" z3="-2.414284">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.494213" y3="2.079056" z3="-0.222953">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.802058" y3="1.392284" z3="0.275234">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.945973" y3="0.938226" z3="1.484359">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.50283" y3="1.73757" z3="1.345157">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.388005" y3="1.924846" z3="0.3346">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-2.018509" y3="2.034432" z3="-1.135122">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.864374" y3="2.054166" z3="0.578175">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.749482" y3="0.450482" z3="-0.861323">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-1.883494" y3="1.622249" z3="2.839763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.291345" y3="-0.766804" z3="-1.615995">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.722654" y3="-1.102753" z3="-1.238113">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.070497" y3="-1.743894" z3="-0.02886">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.750841" y3="-0.741681" z3="-2.117669">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.792311" y3="0.672503" z3="-0.981001">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.047725" y3="-2.153761" z3="1.004464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.418883" y3="-2.008719" z3="0.253543">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.088101" y3="-1.012074" z3="-1.829613">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.427292" y3="-1.652754" z3="-0.638356">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.513587" y3="-1.58107" z3="-2.139488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.148004" y3="-2.596879" z3="-1.123737">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.916829" y3="-0.486569" z3="-0.683267">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.524185" y3="-4.216388" z3="0.975906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.03119" y3="-3.915211" z3="1.615788">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.261349" y3="-3.854736" z3="-0.017548">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.552598" y3="3.160857" z3="-0.364985">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.564064" y3="2.126806" z3="0.54226">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.043671" y3="3.080372" z3="-1.460985">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.75817" y3="1.494668" z3="-1.734235">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.338558" y3="2.729033" z3="-0.138283">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.079626" y3="2.363874" z3="1.594756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.623504" y3="-1.624555" z3="-1.501354">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.261835" y3="-0.50831" z3="-2.679853">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.495449" y3="-0.240766" z3="-3.046697">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.106002" y3="-1.61364" z3="0.934166">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.438118" y3="-2.033685" z3="2.015338">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.677419" y3="-2.494092" z3="1.190858">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.860954" y3="-0.71891" z3="-2.533253">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.464266" y3="-1.866818" z3="-0.401327">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.742013" y3="-1.879103" z3="-3.162517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.42711" y3="-1.587866" z3="-2.011634">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3898,1.3204,-1.6351;-4.731,.3896,.3894;1.124,.1613,2.3958;-1.1543,2.2635,3.6328;4.4342,1.4457,-.644;-2.9096,.9403,3.0899;-5.935,-3.7942,-1.4237;-6.758,-2.1128,-.1409;-.1286,1.703,1.0489;2.4317,.363,-.4964;-5.984,-.2104,-1.9864;-6.4925,1.7737,-1.246;4.6899,-3.6303,.8851;-6.8578,.3396,-2.8621;-7.1342,1.5241,-2.4143;.4942,2.0791,-.223;1.8021,1.3923,.2752;.946,.9382,1.4844;-1.5028,1.7376,1.3452;-2.388,1.9248,.3346;-2.0185,2.0344,-1.1351;-3.8644,2.0542,.5782;3.7495,.4505,-.8613;-1.8835,1.6222,2.8398;4.2913,-.7668,-1.616;5.7227,-1.1028,-1.2381;6.0705,-1.7439,-.0289;6.7508,-.7417,-2.1177;-5.7923,.6725,-.981;5.0477,-2.1538,1.0045;7.4189,-2.0087,.2535;8.0881,-1.0121,-1.8296;8.4273,-1.6528,-.6384;-5.5136,-1.5811,-2.1395;-6.148,-2.5969,-1.1237;1.9168,-.4866,-.6833;5.5242,-4.2164,.9759;4.0312,-3.9152,1.6158;4.2613,-3.8547,-.0175;.5526,3.1609,-.365;2.5641,2.1268,.5423;-2.0437,3.0804,-1.461;-2.7582,1.4947,-1.7342;-4.3386,2.729,-.1383;-4.0796,2.3639,1.5948;3.6235,-1.6246,-1.5014;4.2618,-.5083,-2.6799;6.4954,-.2408,-3.0467;4.106,-1.6136,.9342;5.4381,-2.0337,2.0153;7.6774,-2.4941,1.1909;8.861,-.7189,-2.5333;9.4643,-1.8668,-.4013;-5.742,-1.8791,-3.1625;-4.4271,-1.5879,-2.0116;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1816525 0.0389656 0.0370533</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.224928" y3="1.361316" z3="-1.550764">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.696731" y3="0.362394" z3="0.281543">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.963659" y3="0.085867" z3="2.55701">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.314063" y3="1.956897" z3="3.693446">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.418885" y3="1.404734" z3="-0.588745">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.203229" y3="0.977606" z3="2.912243">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.241124" y3="-3.722952" z3="-1.471186">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.768057" y3="-1.966177" z3="-0.135624">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.166681" y3="1.65542" z3="1.153802">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.435185" y3="0.31461" z3="-0.25968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-6.027953" y3="-0.162581" z3="-2.075005">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.342071" y3="1.867557" z3="-1.36154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.963008" y3="-3.575281" z3="1.100766">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.854622" y3="0.452146" z3="-2.950346">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-7.01271" y3="1.666868" z3="-2.521247">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.546231" y3="2.078204" z3="-0.049535">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.809659" y3="1.348561" z3="0.506873">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.86914" y3="0.883146" z3="1.651343">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.55812" y3="1.666052" z3="1.347567">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.362698" y3="1.864818" z3="0.27868">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.898796" y3="2.02215" z3="-1.155073">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.838393" y3="2.018731" z3="0.460365">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.711607" y3="0.414596" z3="-0.747915">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.066637" y3="1.508452" z3="2.797652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.192633" y3="-0.825615" z3="-1.515511">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.657073" y3="-1.140689" z3="-1.26973">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.132782" y3="-1.695039" z3="-0.060109">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.582936" y3="-0.831464" z3="-2.27237">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.727065" y3="0.717241" z3="-1.09543">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.217584" y3="-2.072927" z3="1.079852">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.508952" y3="-1.902953" z3="0.110027">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.946686" y3="-1.064038" z3="-2.102493">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.41497" y3="-1.599994" z3="-0.903516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.653583" y3="-1.560404" z3="-2.229735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.300143" y3="-2.511102" z3="-1.163899">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.89404" y3="-0.510483" z3="-0.477915">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.836551" y3="-4.097228" z3="1.221287">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.341755" y3="-3.835161" z3="1.873501">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.529474" y3="-3.898096" z3="0.23074">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.620741" y3="3.163448" z3="-0.15747">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.581124" y3="2.052723" z3="0.819442">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.937793" y3="3.076979" z3="-1.451404">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.577968" y3="1.478973" z3="-1.819694">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.279882" y3="2.700544" z3="-0.271748">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.0591" y3="2.321301" z3="1.477162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.548633" y3="-1.687585" z3="-1.314433">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.064938" y3="-0.597781" z3="-2.57793">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.224626" y3="-0.401171" z3="-3.202948">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.236558" y3="-1.601104" z3="1.046909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.670659" y3="-1.851368" z3="2.046117">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.877277" y3="-2.298302" z3="1.052975">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.639795" y3="-0.816736" z3="-2.900685">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.475517" y3="-1.773426" z3="-0.753268">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.943539" y3="-1.854435" z3="-3.237907">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.565143" y3="-1.630452" z3="-2.145105">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2249,1.3613,-1.5508;-4.6967,.3624,.2815;.9637,.0859,2.557;-1.3141,1.9569,3.6934;4.4189,1.4047,-.5887;-3.2032,.9776,2.9122;-6.2411,-3.723,-1.4712;-6.7681,-1.9662,-.1356;-.1667,1.6554,1.1538;2.4352,.3146,-.2597;-6.028,-.1626,-2.075;-6.3421,1.8676,-1.3615;4.963,-3.5753,1.1008;-6.8546,.4521,-2.9503;-7.0127,1.6669,-2.5212;.5462,2.0782,-.0495;1.8097,1.3486,.5069;.8691,.8831,1.6513;-1.5581,1.6661,1.3476;-2.3627,1.8648,.2787;-1.8988,2.0221,-1.1551;-3.8384,2.0187,.4604;3.7116,.4146,-.7479;-2.0666,1.5085,2.7977;4.1926,-.8256,-1.5155;5.6571,-1.1407,-1.2697;6.1328,-1.695,-.0601;6.5829,-.8315,-2.2724;-5.7271,.7172,-1.0954;5.2176,-2.0729,1.0799;7.509,-1.903,.11;7.9467,-1.064,-2.1025;8.415,-1.6,-.9035;-5.6536,-1.5604,-2.2297;-6.3001,-2.5111,-1.1639;1.894,-.5105,-.4779;5.8366,-4.0972,1.2213;4.3418,-3.8352,1.8735;4.5295,-3.8981,.2307;.6207,3.1634,-.1575;2.5811,2.0527,.8194;-1.9378,3.077,-1.4514;-2.578,1.479,-1.8197;-4.2799,2.7005,-.2717;-4.0591,2.3213,1.4772;3.5486,-1.6876,-1.3144;4.0649,-.5978,-2.5779;6.2246,-.4012,-3.2029;4.2366,-1.6011,1.0469;5.6707,-1.8514,2.0461;7.8773,-2.2983,1.053;8.6398,-.8167,-2.9007;9.4755,-1.7734,-.7533;-5.9435,-1.8544,-3.2379;-4.5651,-1.6305,-2.1451;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1824715 0.0386693 0.0369265</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.29112" y3="1.42839" z3="-1.595003">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.775379" y3="0.470924" z3="0.376802">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.97747" y3="0.095057" z3="2.461493">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.213249" y3="2.003971" z3="3.652029">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.455265" y3="1.475101" z3="-0.513275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.062712" y3="0.873303" z3="2.999246">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.196203" y3="-3.756064" z3="-0.989118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.86543" y3="-1.830028" z3="0.012221">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.176831" y3="1.684268" z3="1.103471">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.44513" y3="0.402095" z3="-0.358192">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.858957" y3="-0.308618" z3="-2.030933">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.205059" y3="1.792638" z3="-1.602602">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.712148" y3="-3.669688" z3="0.763882">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.579502" y3="0.197551" z3="-3.055081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.760593" y3="1.456354" z3="-2.793318">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.513608" y3="2.128451" z3="-0.104552">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.796617" y3="1.408999" z3="0.428743">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.868994" y3="0.900981" z3="1.564408">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.561991" y3="1.702142" z3="1.333934">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.392166" y3="1.937784" z3="0.289863">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.952847" y3="2.097333" z3="-1.153808">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.869064" y3="2.110037" z3="0.48843">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.747532" y3="0.507776" z3="-0.770691">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-1.99064" y3="1.505344" z3="2.805271">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.256619" y3="-0.690715" z3="-1.583505">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.691193" y3="-1.060244" z3="-1.255834">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.048607" y3="-1.731614" z3="-0.067244">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.707393" y3="-0.701573" z3="-2.149297">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.63574" y3="0.682215" z3="-1.139917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.021617" y3="-2.186987" z3="0.940478">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.398461" y3="-2.002655" z3="0.200269">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.045719" y3="-0.992637" z3="-1.885873">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.396211" y3="-1.64359" z3="-0.703207">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.504945" y3="-1.719642" z3="-1.968126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.284175" y3="-2.513909" z3="-0.863049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.921469" y3="-0.424375" z3="-0.610786">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.554727" y3="-4.239857" z3="0.876562">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.027252" y3="-3.993036" z3="1.453629">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.331597" y3="-3.87105" z3="-0.165395">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.574222" y3="3.215986" z3="-0.194924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.561536" y3="2.115297" z3="0.75353">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.992241" y3="3.152412" z3="-1.450133">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.649014" y3="1.56002" z3="-1.80598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.306892" y3="2.768374" z3="-0.26537">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.100634" y3="2.469972" z3="1.486454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.581848" y3="-1.544352" z3="-1.472554">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.197436" y3="-0.395647" z3="-2.636364">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.442162" y3="-0.184714" z3="-3.066748">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.064642" y3="-1.671922" z3="0.867065">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.387158" y3="-2.084524" z3="1.962478">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.671891" y3="-2.492543" z3="1.132017">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.811194" y3="-0.70236" z3="-2.598792">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.435204" y3="-1.863506" z3="-0.480599">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.693653" y3="-2.138059" z3="-2.956587">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.434234" y3="-1.792076" z3="-1.756077">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2911,1.4284,-1.595;-4.7754,.4709,.3768;.9775,.0951,2.4615;-1.2132,2.004,3.652;4.4553,1.4751,-.5133;-3.0627,.8733,2.9992;-6.1962,-3.7561,-.9891;-6.8654,-1.83,.0122;-.1768,1.6843,1.1035;2.4451,.4021,-.3582;-5.859,-.3086,-2.0309;-6.2051,1.7926,-1.6026;4.7121,-3.6697,.7639;-6.5795,.1976,-3.0551;-6.7606,1.4564,-2.7933;.5136,2.1285,-.1046;1.7966,1.409,.4287;.869,.901,1.5644;-1.562,1.7021,1.3339;-2.3922,1.9378,.2899;-1.9528,2.0973,-1.1538;-3.8691,2.11,.4884;3.7475,.5078,-.7707;-1.9906,1.5053,2.8053;4.2566,-.6907,-1.5835;5.6912,-1.0602,-1.2558;6.0486,-1.7316,-.0672;6.7074,-.7016,-2.1493;-5.6357,.6822,-1.1399;5.0216,-2.187,.9405;7.3985,-2.0027,.2003;8.0457,-.9926,-1.8859;8.3962,-1.6436,-.7032;-5.5049,-1.7196,-1.9681;-6.2842,-2.5139,-.863;1.9215,-.4244,-.6108;5.5547,-4.2399,.8766;4.0273,-3.993,1.4536;4.3316,-3.871,-.1654;.5742,3.216,-.1949;2.5615,2.1153,.7535;-1.9922,3.1524,-1.4501;-2.649,1.56,-1.806;-4.3069,2.7684,-.2654;-4.1006,2.47,1.4865;3.5818,-1.5444,-1.4726;4.1974,-.3956,-2.6364;6.4422,-.1847,-3.0667;4.0646,-1.6719,.8671;5.3872,-2.0845,1.9625;7.6719,-2.4925,1.132;8.8112,-.7024,-2.5988;9.4352,-1.8635,-.4806;-5.6937,-2.1381,-2.9566;-4.4342,-1.7921,-1.7561;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1812217 0.0391803 0.0376382</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.342079" y3="1.457435" z3="-1.583049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.775391" y3="0.471993" z3="0.424422">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.987085" y3="0.105071" z3="2.441415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.18823" y3="2.059911" z3="3.687633">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.425256" y3="1.459022" z3="-0.529949">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.072355" y3="0.980598" z3="3.044453">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.010477" y3="-3.802505" z3="-1.026219">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.811944" y3="-1.906906" z3="-0.064823">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.17553" y3="1.72064" z3="1.117209">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.407387" y3="0.407293" z3="-0.397398">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.7171" y3="-0.336599" z3="-2.037126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.147952" y3="1.752854" z3="-1.62349">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.631794" y3="-3.664545" z3="0.762992">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.40817" y3="0.150574" z3="-3.091634">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.64094" y3="1.401611" z3="-2.836657">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.495509" y3="2.151374" z3="-0.107439">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.779642" y3="1.418624" z3="0.400752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.86763" y3="0.918539" z3="1.552513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.558168" y3="1.75183" z3="1.369595">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.405632" y3="1.982719" z3="0.338794">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.991757" y3="2.13646" z3="-1.112896">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.885575" y3="2.120687" z3="0.55819">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.713564" y3="0.497355" z3="-0.797623">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-1.978725" y3="1.574643" z3="2.845617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.2193" y3="-0.697061" z3="-1.615552">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.649022" y3="-1.073274" z3="-1.276871">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="5.995163" y3="-1.747057" z3="-0.086335">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.673913" y3="-0.714291" z3="-2.160438">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.576349" y3="0.655769" z3="-1.13036">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="4.962326" y3="-2.184743" z3="0.92241">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.340922" y3="-2.031338" z3="0.186799">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.008777" y3="-1.014028" z3="-1.888968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.347102" y3="-1.674941" z3="-0.708375">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.333426" y3="-1.738962" z3="-1.95826">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.154534" y3="-2.564622" z3="-0.906262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.874547" y3="-0.416139" z3="-0.64182">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.470344" y3="-4.242472" z3="0.869487">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="3.953358" y3="-3.972126" z3="1.466509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.235975" y3="-3.871767" z3="-0.158413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.566928" y3="3.237423" z3="-0.201226">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.553431" y3="2.118975" z3="0.720613">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.032684" y3="3.189911" z3="-1.414144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.702087" y3="1.59948" z3="-1.749935">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.348822" y3="2.778584" z3="-0.179168">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.116907" y3="2.462361" z3="1.562673">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.538221" y3="-1.547156" z3="-1.516964">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.170651" y3="-0.394398" z3="-2.66708">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.418261" y3="-0.191911" z3="-3.077445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.013348" y3="-1.656584" z3="0.844685">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.32967" y3="-2.078872" z3="1.943536">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.603344" y3="-2.529063" z3="1.117052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.780759" y3="-0.725285" z3="-2.59539">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.383013" y3="-1.904005" z3="-0.480746">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.455537" y3="-2.156301" z3="-2.957666">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.27422" y3="-1.787996" z3="-1.688288">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3421,1.4574,-1.583;-4.7754,.472,.4244;.9871,.1051,2.4414;-1.1882,2.0599,3.6876;4.4253,1.459,-.5299;-3.0724,.9806,3.0445;-6.0105,-3.8025,-1.0262;-6.8119,-1.9069,-.0648;-.1755,1.7206,1.1172;2.4074,.4073,-.3974;-5.7171,-.3366,-2.0371;-6.148,1.7529,-1.6235;4.6318,-3.6645,.763;-6.4082,.1506,-3.0916;-6.6409,1.4016,-2.8367;.4955,2.1514,-.1074;1.7796,1.4186,.4008;.8676,.9185,1.5525;-1.5582,1.7518,1.3696;-2.4056,1.9827,.3388;-1.9918,2.1365,-1.1129;-3.8856,2.1207,.5582;3.7136,.4974,-.7976;-1.9787,1.5746,2.8456;4.2193,-.6971,-1.6156;5.649,-1.0733,-1.2769;5.9952,-1.7471,-.0863;6.6739,-.7143,-2.1604;-5.5763,.6558,-1.1304;4.9623,-2.1847,.9224;7.3409,-2.0313,.1868;8.0088,-1.014,-1.889;8.3471,-1.6749,-.7084;-5.3334,-1.739,-1.9583;-6.1545,-2.5646,-.9063;1.8745,-.4161,-.6418;5.4703,-4.2425,.8695;3.9534,-3.9721,1.4665;4.236,-3.8718,-.1584;.5669,3.2374,-.2012;2.5534,2.119,.7206;-2.0327,3.1899,-1.4141;-2.7021,1.5995,-1.7499;-4.3488,2.7786,-.1792;-4.1169,2.4624,1.5627;3.5382,-1.5472,-1.517;4.1707,-.3944,-2.6671;6.4183,-.1919,-3.0774;4.0133,-1.6566,.8447;5.3297,-2.0789,1.9435;7.6033,-2.5291,1.1171;8.7808,-.7253,-2.5954;9.383,-1.904,-.4807;-5.4555,-2.1563,-2.9577;-4.2742,-1.788,-1.6883;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1775392 0.0400090 0.0382077</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.311137" y3="1.492815" z3="-1.551729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.760322" y3="0.474368" z3="0.421868">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.950913" y3="0.146388" z3="2.498924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.238581" y3="2.120283" z3="3.700725">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.424656" y3="1.453755" z3="-0.468513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.119371" y3="1.046059" z3="3.039305">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-5.912917" y3="-3.839374" z3="-1.029021">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.75998" y3="-1.954945" z3="-0.085677">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.185311" y3="1.761363" z3="1.15273">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.394454" y3="0.424982" z3="-0.335107">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.654856" y3="-0.371006" z3="-2.047993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.11799" y3="1.716929" z3="-1.659429">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.617547" y3="-3.68351" z3="0.763168">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.332435" y3="0.100497" z3="-3.118083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.587271" y3="1.349979" z3="-2.876456">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.503938" y3="2.187211" z3="-0.062823">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.776458" y3="1.445139" z3="0.459772">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.848714" y3="0.958297" z3="1.606219">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.572563" y3="1.789106" z3="1.381386">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.404691" y3="2.008949" z3="0.335506">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.970028" y3="2.16494" z3="-1.10898">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.88886" y3="2.131718" z3="0.533134">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.698449" y3="0.504817" z3="-0.743683">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.017842" y3="1.630356" z3="2.851387">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.178266" y3="-0.680249" z3="-1.590192">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.609903" y3="-1.075673" z3="-1.284663">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="5.972839" y3="-1.769148" z3="-0.110179">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.620237" y3="-0.713965" z3="-2.183476">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.540866" y3="0.630854" z3="-1.147633">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="4.957178" y3="-2.20567" z3="0.91636">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.320707" y3="-2.071513" z3="0.130677">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.957081" y3="-1.031169" z3="-1.943682">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.312105" y3="-1.712879" z3="-0.780131">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.252342" y3="-1.76722" z3="-1.954866">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.07923" y3="-2.603465" z3="-0.916016">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.845376" y3="-0.382938" z3="-0.595249">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.455646" y3="-4.264409" z3="0.857316">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="3.949342" y3="-3.986586" z3="1.478591">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.206465" y3="-3.890015" z3="-0.151497">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.582853" y3="3.272456" z3="-0.157326">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.556322" y3="2.137045" z3="0.783338">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.012415" y3="3.217832" z3="-1.411684">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.667043" y3="1.62438" z3="-1.75748">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.353842" y3="2.771876" z3="-0.21874">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.134872" y3="2.486702" z3="1.52926">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.489979" y3="-1.525147" z3="-1.495591">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.114802" y3="-0.357884" z3="-2.634932">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.351414" y3="-0.175735" z3="-3.08749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.008935" y3="-1.67408" z3="0.858657">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.344319" y3="-2.104655" z3="1.930652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.597196" y3="-2.585068" z3="1.048043">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.717579" y3="-0.740562" z3="-2.661695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.349988" y3="-1.955862" z3="-0.577253">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.34985" y3="-2.190285" z3="-2.95447">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.197399" y3="-1.799295" z3="-1.665937">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3111,1.4928,-1.5517;-4.7603,.4744,.4219;.9509,.1464,2.4989;-1.2386,2.1203,3.7007;4.4247,1.4538,-.4685;-3.1194,1.0461,3.0393;-5.9129,-3.8394,-1.029;-6.76,-1.9549,-.0857;-.1853,1.7614,1.1527;2.3945,.425,-.3351;-5.6549,-.371,-2.048;-6.118,1.7169,-1.6594;4.6175,-3.6835,.7632;-6.3324,.1005,-3.1181;-6.5873,1.35,-2.8765;.5039,2.1872,-.0628;1.7765,1.4451,.4598;.8487,.9583,1.6062;-1.5726,1.7891,1.3814;-2.4047,2.0089,.3355;-1.97,2.1649,-1.109;-3.8889,2.1317,.5331;3.6984,.5048,-.7437;-2.0178,1.6304,2.8514;4.1783,-.6802,-1.5902;5.6099,-1.0757,-1.2847;5.9728,-1.7691,-.1102;6.6202,-.714,-2.1835;-5.5409,.6309,-1.1476;4.9572,-2.2057,.9164;7.3207,-2.0715,.1307;7.9571,-1.0312,-1.9437;8.3121,-1.7129,-.7801;-5.2523,-1.7672,-1.9549;-6.0792,-2.6035,-.916;1.8454,-.3829,-.5952;5.4556,-4.2644,.8573;3.9493,-3.9866,1.4786;4.2065,-3.89,-.1515;.5829,3.2725,-.1573;2.5563,2.137,.7833;-2.0124,3.2178,-1.4117;-2.667,1.6244,-1.7575;-4.3538,2.7719,-.2187;-4.1349,2.4867,1.5293;3.49,-1.5251,-1.4956;4.1148,-.3579,-2.6349;6.3514,-.1757,-3.0875;4.0089,-1.6741,.8587;5.3443,-2.1047,1.9307;7.5972,-2.5851,1.048;8.7176,-.7406,-2.6617;9.35,-1.9559,-.5773;-5.3498,-2.1903,-2.9545;-4.1974,-1.7993,-1.6659;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1741412 0.0404736 0.0384555</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.313959" y3="1.515975" z3="-1.551793">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.773919" y3="0.49668" z3="0.428923">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.927796" y3="0.107826" z3="2.478303">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.244856" y3="2.0801" z3="3.704929">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.419796" y3="1.452494" z3="-0.455051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.145486" y3="1.051421" z3="3.027518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-5.930717" y3="-3.832746" z3="-0.972958">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.785919" y3="-1.926184" z3="-0.083044">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.194243" y3="1.752602" z3="1.155999">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.386733" y3="0.425366" z3="-0.341699">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.621162" y3="-0.38459" z3="-2.045209">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.070728" y3="1.714802" z3="-1.705507">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.62337" y3="-3.690243" z3="0.758371">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.269916" y3="0.073586" z3="-3.138434">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.516269" y3="1.330133" z3="-2.925767">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.499751" y3="2.189999" z3="-0.052543">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.767596" y3="1.436074" z3="0.464415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.833469" y3="0.935863" z3="1.599748">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.58227" y3="1.785032" z3="1.381321">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.410521" y3="2.01995" z3="0.335821">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.972393" y3="2.187357" z3="-1.106301">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.893771" y3="2.149268" z3="0.532169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.692805" y3="0.507946" z3="-0.743546">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.031954" y3="1.615852" z3="2.848246">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.175032" y3="-0.670427" z3="-1.598118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.605341" y3="-1.069785" z3="-1.290951">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="5.964886" y3="-1.768135" z3="-0.118127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.618037" y3="-0.707247" z3="-2.186716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.517224" y3="0.632482" z3="-1.160741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="4.946766" y3="-2.208308" z3="0.904668">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.311987" y3="-2.072409" z3="0.124821">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.953931" y3="-1.027114" z3="-1.945203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.305728" y3="-1.712456" z3="-0.782862">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.233075" y3="-1.782425" z3="-1.918982">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.089933" y3="-2.593891" z3="-0.884964">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.837191" y3="-0.378034" z3="-0.614386">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.467492" y3="-4.261391" z3="0.857862">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="3.956652" y3="-3.996661" z3="1.473752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.217431" y3="-3.906582" z3="-0.156264">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.583522" y3="3.275935" z3="-0.134545">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.548465" y3="2.12056" z3="0.800611">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.012413" y3="3.243026" z3="-1.399474">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.66923" y3="1.654337" z3="-1.761228">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.356331" y3="2.790158" z3="-0.220797">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.13745" y3="2.507772" z3="1.527571">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.485752" y3="-1.515495" z3="-1.512825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.115407" y3="-0.339244" z3="-2.640261">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.351923" y3="-0.165795" z3="-3.089606">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="3.993783" y3="-1.686485" z3="0.838144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.326575" y3="-2.097981" z3="1.920805">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.586238" y3="-2.589288" z3="1.04108">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.716319" y3="-0.735227" z3="-2.660684">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.342896" y3="-1.957233" z3="-0.578488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.312017" y3="-2.222135" z3="-2.912983">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.185264" y3="-1.818294" z3="-1.605679">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.314,1.516,-1.5518;-4.7739,.4967,.4289;.9278,.1078,2.4783;-1.2449,2.0801,3.7049;4.4198,1.4525,-.4551;-3.1455,1.0514,3.0275;-5.9307,-3.8327,-.973;-6.7859,-1.9262,-.083;-.1942,1.7526,1.156;2.3867,.4254,-.3417;-5.6212,-.3846,-2.0452;-6.0707,1.7148,-1.7055;4.6234,-3.6902,.7584;-6.2699,.0736,-3.1384;-6.5163,1.3301,-2.9258;.4998,2.19,-.0525;1.7676,1.4361,.4644;.8335,.9359,1.5997;-1.5823,1.785,1.3813;-2.4105,2.02,.3358;-1.9724,2.1874,-1.1063;-3.8938,2.1493,.5322;3.6928,.5079,-.7435;-2.032,1.6159,2.8482;4.175,-.6704,-1.5981;5.6053,-1.0698,-1.291;5.9649,-1.7681,-.1181;6.618,-.7072,-2.1867;-5.5172,.6325,-1.1607;4.9468,-2.2083,.9047;7.312,-2.0724,.1248;7.9539,-1.0271,-1.9452;8.3057,-1.7125,-.7829;-5.2331,-1.7824,-1.919;-6.0899,-2.5939,-.885;1.8372,-.378,-.6144;5.4675,-4.2614,.8579;3.9567,-3.9967,1.4738;4.2174,-3.9066,-.1563;.5835,3.2759,-.1345;2.5485,2.1206,.8006;-2.0124,3.243,-1.3995;-2.6692,1.6543,-1.7612;-4.3563,2.7902,-.2208;-4.1375,2.5078,1.5276;3.4858,-1.5155,-1.5128;4.1154,-.3392,-2.6403;6.3519,-.1658,-3.0896;3.9938,-1.6865,.8381;5.3266,-2.098,1.9208;7.5862,-2.5893,1.0411;8.7163,-.7352,-2.6607;9.3429,-1.9572,-.5785;-5.312,-2.2221,-2.913;-4.1853,-1.8183,-1.6057;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1741195 0.0405491 0.0385885</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.306533" y3="1.53109" z3="-1.548989">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.790249" y3="0.522719" z3="0.425371">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.8841" y3="0.059226" z3="2.466892">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.264322" y3="2.05047" z3="3.70223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.416611" y3="1.436678" z3="-0.412846">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.18882" y3="1.076582" z3="3.010422">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.005722" y3="-3.816114" z3="-0.929598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.845069" y3="-1.884638" z3="-0.079036">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.208315" y3="1.737234" z3="1.162145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.380148" y3="0.411854" z3="-0.329556">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.623601" y3="-0.387817" z3="-2.044692">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.03006" y3="1.727073" z3="-1.751104">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.68994" y3="-3.713858" z3="0.776702">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.24586" y3="0.064083" z3="-3.155581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.466475" y3="1.329745" z3="-2.97011">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.498589" y3="2.183184" z3="-0.035075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.756628" y3="1.414218" z3="0.48403">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.806735" y3="0.90301" z3="1.601741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.598351" y3="1.779312" z3="1.376468">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.415899" y3="2.029105" z3="0.326249">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.965753" y3="2.205189" z3="-1.110923">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.899104" y3="2.167728" z3="0.512516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.688983" y3="0.498789" z3="-0.721751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.059298" y3="1.611664" z3="2.839095">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.174067" y3="-0.667161" z3="-1.591611">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.607358" y3="-1.063806" z3="-1.294478">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="5.976886" y3="-1.768242" z3="-0.128089">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.613318" y3="-0.692439" z3="-2.194114">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.509721" y3="0.64302" z3="-1.177393">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="4.967648" y3="-2.22089" z3="0.898223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.326911" y3="-2.066902" z3="0.105497">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.951987" y3="-1.007855" z3="-1.962414">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.313735" y3="-1.697676" z3="-0.805934">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.261979" y3="-1.790407" z3="-1.892211">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.146598" y3="-2.573696" z3="-0.860581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.827463" y3="-0.380513" z3="-0.626993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.550981" y3="-4.256727" z3="0.888966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.030549" y3="-4.027572" z3="1.495769">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.295244" y3="-3.959422" z3="-0.135307">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591016" y3="3.269281" z3="-0.104781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.538302" y3="2.088653" z3="0.837645">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.000222" y3="3.26324" z3="-1.396022">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.65946" y3="1.680481" z3="-1.775833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.354361" y3="2.804134" z3="-0.24888">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.145157" y3="2.540671" z3="1.50218">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.487935" y3="-1.515704" z3="-1.514663">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.109779" y3="-0.323064" z3="-2.629228">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.339685" y3="-0.146909" z3="-3.092281">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.000249" y3="-1.728506" z3="0.820081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.340132" y3="-2.083543" z3="1.913888">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.609437" y3="-2.588365" z3="1.016735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.708862" y3="-0.708466" z3="-2.680637">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.353189" y3="-1.938761" z3="-0.608901">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.334397" y3="-2.243158" z3="-2.880742">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.21949" y3="-1.839432" z3="-1.563145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3065,1.5311,-1.549;-4.7902,.5227,.4254;.8841,.0592,2.4669;-1.2643,2.0505,3.7022;4.4166,1.4367,-.4128;-3.1888,1.0766,3.0104;-6.0057,-3.8161,-.9296;-6.8451,-1.8846,-.079;-.2083,1.7372,1.1621;2.3801,.4119,-.3296;-5.6236,-.3878,-2.0447;-6.0301,1.7271,-1.7511;4.6899,-3.7139,.7767;-6.2459,.0641,-3.1556;-6.4665,1.3297,-2.9701;.4986,2.1832,-.0351;1.7566,1.4142,.484;.8067,.903,1.6017;-1.5984,1.7793,1.3765;-2.4159,2.0291,.3262;-1.9658,2.2052,-1.1109;-3.8991,2.1677,.5125;3.689,.4988,-.7218;-2.0593,1.6117,2.8391;4.1741,-.6672,-1.5916;5.6074,-1.0638,-1.2945;5.9769,-1.7682,-.1281;6.6133,-.6924,-2.1941;-5.5097,.643,-1.1774;4.9676,-2.2209,.8982;7.3269,-2.0669,.1055;7.952,-1.0079,-1.9624;8.3137,-1.6977,-.8059;-5.262,-1.7904,-1.8922;-6.1466,-2.5737,-.8606;1.8275,-.3805,-.627;5.551,-4.2567,.889;4.0305,-4.0276,1.4958;4.2952,-3.9594,-.1353;.591,3.2693,-.1048;2.5383,2.0887,.8376;-2.0002,3.2632,-1.396;-2.6595,1.6805,-1.7758;-4.3544,2.8041,-.2489;-4.1452,2.5407,1.5022;3.4879,-1.5157,-1.5147;4.1098,-.3231,-2.6292;6.3397,-.1469,-3.0923;4.0002,-1.7285,.8201;5.3401,-2.0835,1.9139;7.6094,-2.5884,1.0167;8.7089,-.7085,-2.6806;9.3532,-1.9388,-.6089;-5.3344,-2.2432,-2.8807;-4.2195,-1.8394,-1.5631;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1743184 0.0403698 0.0384927</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.310468" y3="1.50443" z3="-1.551833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.792547" y3="0.512389" z3="0.415847">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.898227" y3="0.066081" z3="2.474256">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.260584" y3="2.055444" z3="3.699847">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.416964" y3="1.433129" z3="-0.427863">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.171158" y3="1.049171" z3="3.016694">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.032115" y3="-3.803927" z3="-0.969308">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.850271" y3="-1.879403" z3="-0.082848">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.205204" y3="1.726854" z3="1.157055">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.385976" y3="0.399961" z3="-0.32906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.662314" y3="-0.365072" z3="-2.052568">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.067263" y3="1.744798" z3="-1.724221">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.704872" y3="-3.696543" z3="0.797685">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.302447" y3="0.100747" z3="-3.147784">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.521446" y3="1.363416" z3="-2.942237">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.497763" y3="2.167497" z3="-0.04484">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.75957" y3="1.406467" z3="0.477039">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.814824" y3="0.90098" z3="1.601167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.594455" y3="1.766665" z3="1.375745">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.41524" y3="2.011701" z3="0.327046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.968236" y3="2.181954" z3="-1.112175">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.897887" y3="2.155844" z3="0.515946">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.693677" y3="0.488241" z3="-0.724783">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.05061" y3="1.600373" z3="2.840597">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.18297" y3="-0.684808" z3="-1.582814">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.620281" y3="-1.068308" z3="-1.288055">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="5.99889" y3="-1.760689" z3="-0.11785">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.619829" y3="-0.701079" z3="-2.196708">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.535295" y3="0.654354" z3="-1.173915">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="4.996248" y3="-2.205814" z3="0.918252">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.351177" y3="-2.053823" z3="0.109905">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.960944" y3="-1.009559" z3="-1.970039">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.331607" y3="-1.688905" z3="-0.810091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.299884" y3="-1.769698" z3="-1.922471">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.168165" y3="-2.562124" z3="-0.884034">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.837904" y3="-0.399852" z3="-0.614753">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.561839" y3="-4.247853" z3="0.900524">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.049328" y3="-4.005915" z3="1.522043">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.298541" y3="-3.935664" z3="-0.111143">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.586195" y3="3.253536" z3="-0.121399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.538594" y3="2.087753" z3="0.823533">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.001194" y3="3.239154" z3="-1.400733">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.66439" y3="1.655726" z3="-1.773274">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.349513" y3="2.797802" z3="-0.242801">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.142498" y3="2.524477" z3="1.507657">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.503796" y3="-1.537732" z3="-1.491956">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.111558" y3="-0.354406" z3="-2.624493">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.338965" y3="-0.165212" z3="-3.098444">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.031811" y3="-1.706228" z3="0.847629">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.378474" y3="-2.069666" z3="1.930455">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.640654" y3="-2.566307" z3="1.023919">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.712557" y3="-0.713691" z3="-2.695216">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.372906" y3="-1.925203" z3="-0.617087">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.390097" y3="-2.211064" z3="-2.914722">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.252011" y3="-1.823607" z3="-1.611981">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3105,1.5044,-1.5518;-4.7925,.5124,.4158;.8982,.0661,2.4743;-1.2606,2.0554,3.6998;4.417,1.4331,-.4279;-3.1712,1.0492,3.0167;-6.0321,-3.8039,-.9693;-6.8503,-1.8794,-.0828;-.2052,1.7269,1.1571;2.386,.4,-.3291;-5.6623,-.3651,-2.0526;-6.0673,1.7448,-1.7242;4.7049,-3.6965,.7977;-6.3024,.1007,-3.1478;-6.5214,1.3634,-2.9422;.4978,2.1675,-.0448;1.7596,1.4065,.477;.8148,.901,1.6012;-1.5945,1.7667,1.3757;-2.4152,2.0117,.327;-1.9682,2.182,-1.1122;-3.8979,2.1558,.5159;3.6937,.4882,-.7248;-2.0506,1.6004,2.8406;4.183,-.6848,-1.5828;5.6203,-1.0683,-1.2881;5.9989,-1.7607,-.1178;6.6198,-.7011,-2.1967;-5.5353,.6544,-1.1739;4.9962,-2.2058,.9183;7.3512,-2.0538,.1099;7.9609,-1.0096,-1.97;8.3316,-1.6889,-.8101;-5.2999,-1.7697,-1.9225;-6.1682,-2.5621,-.884;1.8379,-.3999,-.6148;5.5618,-4.2479,.9005;4.0493,-4.0059,1.522;4.2985,-3.9357,-.1111;.5862,3.2535,-.1214;2.5386,2.0878,.8235;-2.0012,3.2392,-1.4007;-2.6644,1.6557,-1.7733;-4.3495,2.7978,-.2428;-4.1425,2.5245,1.5077;3.5038,-1.5377,-1.492;4.1116,-.3544,-2.6245;6.339,-.1652,-3.0984;4.0318,-1.7062,.8476;5.3785,-2.0697,1.9305;7.6407,-2.5663,1.0239;8.7126,-.7137,-2.6952;9.3729,-1.9252,-.6171;-5.3901,-2.2111,-2.9147;-4.252,-1.8236,-1.612;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1752369 0.0401488 0.0383012</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.312044" y3="1.490723" z3="-1.551914">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.80277" y3="0.517224" z3="0.407331">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.888213" y3="0.045236" z3="2.473519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.266879" y3="2.038133" z3="3.699104">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.413021" y3="1.421876" z3="-0.424515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.178987" y3="1.036706" z3="3.013391">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.079902" y3="-3.784867" z3="-0.98525">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.875493" y3="-1.856178" z3="-0.087267">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.210227" y3="1.709457" z3="1.156795">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.385409" y3="0.382363" z3="-0.323888">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.688868" y3="-0.346107" z3="-2.060017">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.075746" y3="1.765814" z3="-1.724346">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.749373" y3="-3.690451" z3="0.829796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.329457" y3="0.127927" z3="-3.15161">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.537011" y3="1.391788" z3="-2.942092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.495371" y3="2.150716" z3="-0.043357">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.755404" y3="1.38796" z3="0.48053">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.807812" y3="0.881499" z3="1.601535">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.599621" y3="1.752604" z3="1.374385">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.418179" y3="2.002258" z3="0.325215">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.968612" y3="2.172451" z3="-1.113373">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.900086" y3="2.155774" z3="0.512166">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.692994" y3="0.473905" z3="-0.71947">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.057249" y3="1.585522" z3="2.838727">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.186402" y3="-0.699748" z3="-1.574492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.628346" y3="-1.071261" z3="-1.286885">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.019925" y3="-1.753381" z3="-0.11512">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.618722" y3="-0.705511" z3="-2.206245">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.549851" y3="0.669807" z3="-1.179254">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.027765" y3="-2.195813" z3="0.932326">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.37559" y3="-2.037894" z3="0.103589">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.963214" y3="-1.005311" z3="-1.988409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.346737" y3="-1.674578" z3="-0.826762">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.336333" y3="-1.753908" z3="-1.9361">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.204396" y3="-2.542272" z3="-0.894763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.839917" y3="-0.419044" z3="-0.609947">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.611702" y3="-4.233451" z3="0.932942">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.100988" y3="-3.997939" z3="1.56133">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.339436" y3="-3.942164" z3="-0.074083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.585082" y3="3.236799" z3="-0.11883">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.532897" y3="2.069607" z3="0.82971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.997726" y3="3.230218" z3="-1.400365">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.665662" y3="1.649297" z3="-1.77596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.345324" y3="2.801278" z3="-0.247382">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.143873" y3="2.525848" z3="1.503623">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.51439" y3="-1.557511" z3="-1.475057">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.106429" y3="-0.375589" z3="-2.617545">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.327745" y3="-0.177986" z3="-3.109689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.058326" y3="-1.706037" z3="0.861093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.41429" y3="-2.043905" z3="1.940686">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.675417" y3="-2.54212" z3="1.01881">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.70733" y3="-0.710617" z3="-2.721754">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.390737" y3="-1.90422" z3="-0.640447">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.435952" y3="-2.191617" z3="-2.929061">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.287085" y3="-1.816523" z3="-1.632011">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.312,1.4907,-1.5519;-4.8028,.5172,.4073;.8882,.0452,2.4735;-1.2669,2.0381,3.6991;4.413,1.4219,-.4245;-3.179,1.0367,3.0134;-6.0799,-3.7849,-.9852;-6.8755,-1.8562,-.0873;-.2102,1.7095,1.1568;2.3854,.3824,-.3239;-5.6889,-.3461,-2.06;-6.0757,1.7658,-1.7243;4.7494,-3.6905,.8298;-6.3295,.1279,-3.1516;-6.537,1.3918,-2.9421;.4954,2.1507,-.0434;1.7554,1.388,.4805;.8078,.8815,1.6015;-1.5996,1.7526,1.3744;-2.4182,2.0023,.3252;-1.9686,2.1725,-1.1134;-3.9001,2.1558,.5122;3.693,.4739,-.7195;-2.0572,1.5855,2.8387;4.1864,-.6997,-1.5745;5.6283,-1.0713,-1.2869;6.0199,-1.7534,-.1151;6.6187,-.7055,-2.2062;-5.5499,.6698,-1.1793;5.0278,-2.1958,.9323;7.3756,-2.0379,.1036;7.9632,-1.0053,-1.9884;8.3467,-1.6746,-.8268;-5.3363,-1.7539,-1.9361;-6.2044,-2.5423,-.8948;1.8399,-.419,-.6099;5.6117,-4.2335,.9329;4.101,-3.9979,1.5613;4.3394,-3.9422,-.0741;.5851,3.2368,-.1188;2.5329,2.0696,.8297;-1.9977,3.2302,-1.4004;-2.6657,1.6493,-1.776;-4.3453,2.8013,-.2474;-4.1439,2.5258,1.5036;3.5144,-1.5575,-1.4751;4.1064,-.3756,-2.6175;6.3277,-.178,-3.1097;4.0583,-1.706,.8611;5.4143,-2.0439,1.9407;7.6754,-2.5421,1.0188;8.7073,-.7106,-2.7218;9.3907,-1.9042,-.6404;-5.436,-2.1916,-2.9291;-4.2871,-1.8165,-1.632;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1760830 0.0399275 0.0381402</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.316708" y3="1.488026" z3="-1.549765">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.80302" y3="0.518148" z3="0.409523">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.886365" y3="0.05717" z3="2.481574">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.273219" y3="2.055062" z3="3.701463">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.411745" y3="1.413935" z3="-0.412338">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.18066" y3="1.045226" z3="3.015255">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.042238" y3="-3.790297" z3="-0.99869">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.857686" y3="-1.87218" z3="-0.096401">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.212534" y3="1.715918" z3="1.158211">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.380603" y3="0.381779" z3="-0.320737">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.67999" y3="-0.344303" z3="-2.061051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.087694" y3="1.762685" z3="-1.717341">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.748833" y3="-3.693423" z3="0.833991">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.325641" y3="0.127631" z3="-3.150827">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.545953" y3="1.388391" z3="-2.936192">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.492672" y3="2.152155" z3="-0.044095">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.752294" y3="1.389986" z3="0.481398">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.805106" y3="0.88859" z3="1.605063">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.601724" y3="1.761019" z3="1.376547">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421003" y3="2.007537" z3="0.32713">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.972154" y3="2.173128" z3="-1.112235">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.90349" y3="2.158755" z3="0.514281">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.689697" y3="0.468943" z3="-0.711914">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.060368" y3="1.597097" z3="2.841036">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.181078" y3="-0.702932" z3="-1.570275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.623639" y3="-1.074938" z3="-1.287158">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.018496" y3="-1.757889" z3="-0.117055">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.611446" y3="-0.707791" z3="-2.20886">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.552086" y3="0.669403" z3="-1.176168">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.028921" y3="-2.19865" z3="0.933537">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.374721" y3="-2.043408" z3="0.097046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.956399" y3="-1.008476" z3="-1.995592">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.343074" y3="-1.679679" z3="-0.836015">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.315387" y3="-1.749316" z3="-1.941687">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.178766" y3="-2.549178" z3="-0.904994">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.833257" y3="-0.4181" z3="-0.607731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.610228" y3="-4.23763" z3="0.938331">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.099712" y3="-3.998647" z3="1.565804">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.33834" y3="-3.94587" z3="-0.069464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.583503" y3="3.237844" z3="-0.123106">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.530046" y3="2.072324" z3="0.828995">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.999944" y3="3.230121" z3="-1.402225">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.670172" y3="1.6489" z3="-1.772933">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.350353" y3="2.803192" z3="-0.245145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.147834" y3="2.527383" z3="1.50604">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.509743" y3="-1.561152" z3="-1.470638">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.097951" y3="-0.377503" z3="-2.61279">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.317919" y3="-0.178594" z3="-3.110517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.059417" y3="-1.708804" z3="0.86316">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.417291" y3="-2.044978" z3="1.940967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.677383" y3="-2.548139" z3="1.010996">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.698391" y3="-0.713057" z3="-2.730797">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.387494" y3="-1.910265" z3="-0.653258">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.409466" y3="-2.18404" z3="-2.936549">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.266025" y3="-1.80432" z3="-1.636462">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3167,1.488,-1.5498;-4.803,.5181,.4095;.8864,.0572,2.4816;-1.2732,2.0551,3.7015;4.4117,1.4139,-.4123;-3.1807,1.0452,3.0153;-6.0422,-3.7903,-.9987;-6.8577,-1.8722,-.0964;-.2125,1.7159,1.1582;2.3806,.3818,-.3207;-5.68,-.3443,-2.0611;-6.0877,1.7627,-1.7173;4.7488,-3.6934,.834;-6.3256,.1276,-3.1508;-6.546,1.3884,-2.9362;.4927,2.1522,-.0441;1.7523,1.39,.4814;.8051,.8886,1.6051;-1.6017,1.761,1.3765;-2.421,2.0075,.3271;-1.9722,2.1731,-1.1122;-3.9035,2.1588,.5143;3.6897,.4689,-.7119;-2.0604,1.5971,2.841;4.1811,-.7029,-1.5703;5.6236,-1.0749,-1.2872;6.0185,-1.7579,-.1171;6.6114,-.7078,-2.2089;-5.5521,.6694,-1.1762;5.0289,-2.1987,.9335;7.3747,-2.0434,.097;7.9564,-1.0085,-1.9956;8.3431,-1.6797,-.836;-5.3154,-1.7493,-1.9417;-6.1788,-2.5492,-.905;1.8333,-.4181,-.6077;5.6102,-4.2376,.9383;4.0997,-3.9986,1.5658;4.3383,-3.9459,-.0695;.5835,3.2378,-.1231;2.53,2.0723,.829;-1.9999,3.2301,-1.4022;-2.6702,1.6489,-1.7729;-4.3504,2.8032,-.2451;-4.1478,2.5274,1.506;3.5097,-1.5612,-1.4706;4.098,-.3775,-2.6128;6.3179,-.1786,-3.1105;4.0594,-1.7088,.8632;5.4173,-2.045,1.941;7.6774,-2.5481,1.011;8.6984,-.7131,-2.7308;9.3875,-1.9103,-.6533;-5.4095,-2.184,-2.9365;-4.266,-1.8043,-1.6365;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1757205 0.0399993 0.0381677</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.318936" y3="1.47732" z3="-1.547388">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.810871" y3="0.523504" z3="0.403556">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.875714" y3="0.051383" z3="2.488078">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.281822" y3="2.056113" z3="3.70205">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.409491" y3="1.399365" z3="-0.395144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.190247" y3="1.049716" z3="3.013952">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.064302" y3="-3.779576" z3="-1.01018">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.874737" y3="-1.860477" z3="-0.105788">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.21782" y3="1.710026" z3="1.160142">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.37682" y3="0.369841" z3="-0.312699">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.691588" y3="-0.333126" z3="-2.067459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.09484" y3="1.774199" z3="-1.720079">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.7838" y3="-3.696359" z3="0.853402">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.337038" y3="0.142003" z3="-3.156201">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.554785" y3="1.402718" z3="-2.939223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.489971" y3="2.142586" z3="-0.041988">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.74734" y3="1.379037" z3="0.486925">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.797424" y3="0.88127" z3="1.60986">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.607139" y3="1.759239" z3="1.376768">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.424487" y3="2.006126" z3="0.325856">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.973143" y3="2.167648" z3="-1.11326">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.907134" y3="2.161783" z3="0.510247">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.687381" y3="0.455816" z3="-0.6992">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.06844" y3="1.598756" z3="2.84088">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.17979" y3="-0.714208" z3="-1.559231">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.626106" y3="-1.078448" z3="-1.285596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.033018" y3="-1.7569" z3="-0.117079">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.605256" y3="-0.708736" z3="-2.21562">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.561212" y3="0.678853" z3="-1.181068">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.053144" y3="-2.198713" z3="0.94214">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.392147" y3="-2.035986" z3="0.087086">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.953064" y3="-1.003117" z3="-2.012275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.351583" y3="-1.670263" z3="-0.854294">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.331116" y3="-1.739343" z3="-1.950173">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.197344" y3="-2.538217" z3="-0.915031">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.829447" y3="-0.429199" z3="-0.60211">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.64904" y3="-4.23414" z3="0.958939">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.138502" y3="-4.001411" z3="1.588633">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.372621" y3="-3.957072" z3="-0.047413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.58306" y3="3.227939" z3="-0.12287">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.524694" y3="2.061151" z3="0.835967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.997502" y3="3.224177" z3="-1.405269">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.671686" y3="1.644055" z3="-1.773893">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.350487" y3="2.807344" z3="-0.250244">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.152312" y3="2.531089" z3="1.501508">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.513761" y3="-1.575967" z3="-1.454314">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.087729" y3="-0.390788" z3="-2.601697">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.302415" y3="-0.182489" z3="-3.115935">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.07935" y3="-1.71728" z3="0.873459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.445346" y3="-2.035322" z3="1.946589">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.704427" y3="-2.536851" z3="0.999905">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.688025" y3="-0.705962" z3="-2.753814">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.398343" y3="-1.896122" z3="-0.679183">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.426264" y3="-2.172157" z3="-2.945794">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.281906" y3="-1.798036" z3="-1.645088">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3189,1.4773,-1.5474;-4.8109,.5235,.4036;.8757,.0514,2.4881;-1.2818,2.0561,3.702;4.4095,1.3994,-.3951;-3.1902,1.0497,3.014;-6.0643,-3.7796,-1.0102;-6.8747,-1.8605,-.1058;-.2178,1.71,1.1601;2.3768,.3698,-.3127;-5.6916,-.3331,-2.0675;-6.0948,1.7742,-1.7201;4.7838,-3.6964,.8534;-6.337,.142,-3.1562;-6.5548,1.4027,-2.9392;.49,2.1426,-.042;1.7473,1.379,.4869;.7974,.8813,1.6099;-1.6071,1.7592,1.3768;-2.4245,2.0061,.3259;-1.9731,2.1676,-1.1133;-3.9071,2.1618,.5102;3.6874,.4558,-.6992;-2.0684,1.5988,2.8409;4.1798,-.7142,-1.5592;5.6261,-1.0784,-1.2856;6.033,-1.7569,-.1171;6.6053,-.7087,-2.2156;-5.5612,.6789,-1.1811;5.0531,-2.1987,.9421;7.3921,-2.036,.0871;7.9531,-1.0031,-2.0123;8.3516,-1.6703,-.8543;-5.3311,-1.7393,-1.9502;-6.1973,-2.5382,-.915;1.8294,-.4292,-.6021;5.649,-4.2341,.9589;4.1385,-4.0014,1.5886;4.3726,-3.9571,-.0474;.5831,3.2279,-.1229;2.5247,2.0612,.836;-1.9975,3.2242,-1.4053;-2.6717,1.6441,-1.7739;-4.3505,2.8073,-.2502;-4.1523,2.5311,1.5015;3.5138,-1.576,-1.4543;4.0877,-.3908,-2.6017;6.3024,-.1825,-3.1159;4.0793,-1.7173,.8735;5.4453,-2.0353,1.9466;7.7044,-2.5369,.9999;8.688,-.706,-2.7538;9.3983,-1.8961,-.6792;-5.4263,-2.1722,-2.9458;-4.2819,-1.798,-1.6451;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1759652 0.0398778 0.0380569</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.320846" y3="1.468532" z3="-1.542671">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.823221" y3="0.535317" z3="0.396248">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.854204" y3="0.039218" z3="2.496044">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.296942" y3="2.05334" z3="3.703378">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.40516" y3="1.379315" z3="-0.367665">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.209728" y3="1.059136" z3="3.009914">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.090317" y3="-3.765178" z3="-1.016291">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.895737" y3="-1.841559" z3="-0.117169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.227682" y3="1.702653" z3="1.16477">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.369442" y3="0.354743" z3="-0.29916">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.698742" y3="-0.32164" z3="-2.0764">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.095263" y3="1.787748" z3="-1.733527">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.831951" y3="-3.702907" z3="0.877151">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.338632" y3="0.154461" z3="-3.168153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.552382" y3="1.416233" z3="-2.953729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.485601" y3="2.132052" z3="-0.035138">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.738473" y3="1.36432" z3="0.498538">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.782541" y3="0.869503" z3="1.617659">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.617426" y3="1.758022" z3="1.377139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.430407" y3="2.007502" z3="0.32342">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.973845" y3="2.165443" z3="-1.114486">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.91306" y3="2.169869" z3="0.502703">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.682088" y3="0.438827" z3="-0.679062">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.083932" y3="1.600962" z3="2.83994">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.174751" y3="-0.728245" z3="-1.542786">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.626154" y3="-1.082884" z3="-1.28394">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.050575" y3="-1.756513" z3="-0.118871">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.592455" y3="-0.709496" z3="-2.22598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.567748" y3="0.691113" z3="-1.191077">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.085387" y3="-2.201536" z3="0.952433">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.413671" y3="-2.026902" z3="0.070247">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.944169" y3="-0.995608" z3="-2.037786">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.359942" y3="-1.65782" z3="-0.882993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.344629" y3="-1.729195" z3="-1.955836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.218256" y3="-2.523131" z3="-0.923126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.821432" y3="-0.441944" z3="-0.593921">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.703095" y3="-4.231052" z3="0.982179">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.193573" y3="-4.008874" z3="1.617996">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.418805" y3="-3.974899" z3="-0.019422">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.582754" y3="3.21701" z3="-0.116469">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.515736" y3="2.044396" z3="0.851789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.993348" y3="3.221697" z3="-1.407846">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.672242" y3="1.643639" z3="-1.776677">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.351065" y3="2.815991" z3="-0.260409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.159651" y3="2.541935" z3="1.492557">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.515348" y3="-1.594325" z3="-1.431079">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.069976" y3="-0.406346" z3="-2.584585">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.276125" y3="-0.186745" z3="-3.123703">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.10553" y3="-1.732184" z3="0.888198">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.483918" y3="-2.025996" z3="1.952358">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.739835" y3="-2.523354" z3="0.980654">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.668737" y3="-0.695791" z3="-2.788424">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.409942" y3="-1.877278" z3="-0.719516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.437799" y3="-2.162846" z3="-2.951289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.296819" y3="-1.791936" z3="-1.646787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3208,1.4685,-1.5427;-4.8232,.5353,.3962;.8542,.0392,2.496;-1.2969,2.0533,3.7034;4.4052,1.3793,-.3677;-3.2097,1.0591,3.0099;-6.0903,-3.7652,-1.0163;-6.8957,-1.8416,-.1172;-.2277,1.7027,1.1648;2.3694,.3547,-.2992;-5.6987,-.3216,-2.0764;-6.0953,1.7877,-1.7335;4.832,-3.7029,.8772;-6.3386,.1545,-3.1682;-6.5524,1.4162,-2.9537;.4856,2.1321,-.0351;1.7385,1.3643,.4985;.7825,.8695,1.6177;-1.6174,1.758,1.3771;-2.4304,2.0075,.3234;-1.9738,2.1654,-1.1145;-3.9131,2.1699,.5027;3.6821,.4388,-.6791;-2.0839,1.601,2.8399;4.1748,-.7282,-1.5428;5.6262,-1.0829,-1.2839;6.0506,-1.7565,-.1189;6.5925,-.7095,-2.226;-5.5677,.6911,-1.1911;5.0854,-2.2015,.9524;7.4137,-2.0269,.0702;7.9442,-.9956,-2.0378;8.3599,-1.6578,-.883;-5.3446,-1.7292,-1.9558;-6.2183,-2.5231,-.9231;1.8214,-.4419,-.5939;5.7031,-4.2311,.9822;4.1936,-4.0089,1.618;4.4188,-3.9749,-.0194;.5828,3.217,-.1165;2.5157,2.0444,.8518;-1.9933,3.2217,-1.4078;-2.6722,1.6436,-1.7767;-4.3511,2.816,-.2604;-4.1597,2.5419,1.4926;3.5153,-1.5943,-1.4311;4.07,-.4063,-2.5846;6.2761,-.1867,-3.1237;4.1055,-1.7322,.8882;5.4839,-2.026,1.9524;7.7398,-2.5234,.9807;8.6687,-.6958,-2.7884;9.4099,-1.8773,-.7195;-5.4378,-2.1628,-2.9513;-4.2968,-1.7919,-1.6468;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1761414 0.0397536 0.0379467</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.321066" y3="1.475895" z3="-1.544024">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.819847" y3="0.532491" z3="0.398779">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.859722" y3="0.04768" z3="2.492963">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.290607" y3="2.056937" z3="3.702749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.408947" y3="1.384445" z3="-0.368223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.203828" y3="1.061096" z3="3.012798">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.079873" y3="-3.770951" z3="-1.004388">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.888294" y3="-1.84479" z3="-0.113012">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.2256" y3="1.710263" z3="1.163463">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.370106" y3="0.365221" z3="-0.304606">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.688192" y3="-0.330564" z3="-2.07417">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.088823" y3="1.778828" z3="-1.736428">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.811611" y3="-3.707134" z3="0.860673">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.326538" y3="0.142138" z3="-3.168116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.542786" y3="1.404086" z3="-2.956823">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.48577" y3="2.140731" z3="-0.037187">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.7402" y3="1.374276" z3="0.494707">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.786332" y3="0.878481" z3="1.615191">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.615124" y3="1.762832" z3="1.377131">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.429771" y3="2.0103" z3="0.324142">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.975079" y3="2.169236" z3="-1.114218">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.912484" y3="2.16886" z3="0.505021">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.683734" y3="0.446344" z3="-0.681795">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.079039" y3="1.604492" z3="2.840688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.174564" y3="-0.721738" z3="-1.545286">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.624165" y3="-1.081718" z3="-1.283265">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.043376" y3="-1.759914" z3="-0.118798">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.594485" y3="-0.707233" z3="-2.220636">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.560546" y3="0.684271" z3="-1.190698">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.073951" y3="-2.207887" z3="0.947353">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.4054" y3="-2.032264" z3="0.075044">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.94511" y3="-0.995881" z3="-2.028153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.355743" y3="-1.661553" z3="-0.873549">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.333258" y3="-1.737432" z3="-1.948702">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.208766" y3="-2.528661" z3="-0.915331">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.821468" y3="-0.431151" z3="-0.599022">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.67929" y3="-4.241162" z3="0.963802">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.170037" y3="-4.014316" z3="1.598269">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.398785" y3="-3.971391" z3="-0.038325">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.581366" y3="3.225816" z3="-0.118565">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.517979" y3="2.054362" z3="0.846722">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.99739" y3="3.22532" z3="-1.407911">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.673006" y3="1.645654" z3="-1.775504">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.353069" y3="2.814508" z3="-0.257009">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.15913" y3="2.539249" z3="1.495485">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.51115" y3="-1.585023" z3="-1.436087">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.073396" y3="-0.398239" z3="-2.586925">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.282324" y3="-0.181181" z3="-3.117891">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.097106" y3="-1.732086" z3="0.886029">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.472506" y3="-2.042876" z3="1.948949">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.727223" y3="-2.531667" z3="0.985494">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.672944" y3="-0.695033" z3="-2.775211">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.404888" y3="-1.882532" z3="-0.706657">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.423638" y3="-2.174274" z3="-2.943006">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.286275" y3="-1.798373" z3="-1.63659">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3211,1.4759,-1.544;-4.8198,.5325,.3988;.8597,.0477,2.493;-1.2906,2.0569,3.7027;4.4089,1.3844,-.3682;-3.2038,1.0611,3.0128;-6.0799,-3.771,-1.0044;-6.8883,-1.8448,-.113;-.2256,1.7103,1.1635;2.3701,.3652,-.3046;-5.6882,-.3306,-2.0742;-6.0888,1.7788,-1.7364;4.8116,-3.7071,.8607;-6.3265,.1421,-3.1681;-6.5428,1.4041,-2.9568;.4858,2.1407,-.0372;1.7402,1.3743,.4947;.7863,.8785,1.6152;-1.6151,1.7628,1.3771;-2.4298,2.0103,.3241;-1.9751,2.1692,-1.1142;-3.9125,2.1689,.505;3.6837,.4463,-.6818;-2.079,1.6045,2.8407;4.1746,-.7217,-1.5453;5.6242,-1.0817,-1.2833;6.0434,-1.7599,-.1188;6.5945,-.7072,-2.2206;-5.5605,.6843,-1.1907;5.074,-2.2079,.9474;7.4054,-2.0323,.075;7.9451,-.9959,-2.0282;8.3557,-1.6616,-.8735;-5.3333,-1.7374,-1.9487;-6.2088,-2.5287,-.9153;1.8215,-.4312,-.599;5.6793,-4.2412,.9638;4.17,-4.0143,1.5983;4.3988,-3.9714,-.0383;.5814,3.2258,-.1186;2.518,2.0544,.8467;-1.9974,3.2253,-1.4079;-2.673,1.6457,-1.7755;-4.3531,2.8145,-.257;-4.1591,2.5392,1.4955;3.5112,-1.585,-1.4361;4.0734,-.3982,-2.5869;6.2823,-.1812,-3.1179;4.0971,-1.7321,.886;5.4725,-2.0429,1.9489;7.7272,-2.5317,.9855;8.6729,-.695,-2.7752;9.4049,-1.8825,-.7067;-5.4236,-2.1743,-2.943;-4.2863,-1.7984,-1.6366;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1758556 0.0398269 0.0380062</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.323265" y3="1.474095" z3="-1.543486">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.826433" y3="0.538116" z3="0.393851">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.849994" y3="0.051589" z3="2.496981">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.295756" y3="2.063435" z3="3.700977">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.411383" y3="1.367549" z3="-0.342427">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.210741" y3="1.070286" z3="3.012053">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.08952" y3="-3.763971" z3="-1.002937">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.894231" y3="-1.834186" z3="-0.115758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.23095" y3="1.713921" z3="1.163692">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.364265" y3="0.363661" z3="-0.300726">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.691011" y3="-0.326822" z3="-2.079607">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.092494" y3="1.782744" z3="-1.743911">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.834313" y3="-3.720274" z3="0.860604">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.328496" y3="0.144531" z3="-3.174425">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.545263" y3="1.40669" z3="-2.964412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.482356" y3="2.141274" z3="-0.03682">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.735192" y3="1.373877" z3="0.497625">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779409" y3="0.881446" z3="1.618067">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.620426" y3="1.76838" z3="1.375625">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.433833" y3="2.014011" z3="0.32107">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.977488" y3="2.169019" z3="-1.11723">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.916583" y3="2.173593" z3="0.5003">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.681886" y3="0.43603" z3="-0.665527">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.085255" y3="1.6122" z3="2.839311">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.170413" y3="-0.733198" z3="-1.52901">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.623306" y3="-1.087325" z3="-1.278261">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.054593" y3="-1.763873" z3="-0.117119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.58513" y3="-0.706445" z3="-2.221763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.564652" y3="0.688825" z3="-1.196769">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.094777" y3="-2.220819" z3="0.953645">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.419638" y3="-2.026478" z3="0.068581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.938864" y3="-0.986295" z3="-2.037968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.361405" y3="-1.648854" z3="-0.885882">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.337724" y3="-1.73372" z3="-1.950709">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.2158" y3="-2.521237" z3="-0.916336">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.814051" y3="-0.430889" z3="-0.597177">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.702477" y3="-4.253912" z3="0.960442">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.194153" y3="-4.030988" z3="1.597972">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.420536" y3="-3.982521" z3="-0.03857">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.579291" y3="3.226067" z3="-0.120209">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.514007" y3="2.052644" z3="0.849874">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.999431" y3="3.224146" z3="-1.414288">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.674792" y3="1.643484" z3="-1.777645">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.356323" y3="2.819629" z3="-0.261887">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.164101" y3="2.543449" z3="1.490729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.509781" y3="-1.597507" z3="-1.411268">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.058825" y3="-0.413673" z3="-2.570889">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.263865" y3="-0.181614" z3="-3.116531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.116451" y3="-1.747053" z3="0.903035">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.500882" y3="-2.061536" z3="1.953019">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.750275" y3="-2.52372" z3="0.977147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.659941" y3="-0.680728" z3="-2.789648">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.413133" y3="-1.862337" z3="-0.725596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.426918" y3="-2.172821" z3="-2.944111">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.291459" y3="-1.795109" z3="-1.636362">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3233,1.4741,-1.5435;-4.8264,.5381,.3939;.85,.0516,2.497;-1.2958,2.0634,3.701;4.4114,1.3675,-.3424;-3.2107,1.0703,3.0121;-6.0895,-3.764,-1.0029;-6.8942,-1.8342,-.1158;-.2309,1.7139,1.1637;2.3643,.3637,-.3007;-5.691,-.3268,-2.0796;-6.0925,1.7827,-1.7439;4.8343,-3.7203,.8606;-6.3285,.1445,-3.1744;-6.5453,1.4067,-2.9644;.4824,2.1413,-.0368;1.7352,1.3739,.4976;.7794,.8814,1.6181;-1.6204,1.7684,1.3756;-2.4338,2.014,.3211;-1.9775,2.169,-1.1172;-3.9166,2.1736,.5003;3.6819,.436,-.6655;-2.0853,1.6122,2.8393;4.1704,-.7332,-1.529;5.6233,-1.0873,-1.2783;6.0546,-1.7639,-.1171;6.5851,-.7064,-2.2218;-5.5647,.6888,-1.1968;5.0948,-2.2208,.9536;7.4196,-2.0265,.0686;7.9389,-.9863,-2.038;8.3614,-1.6489,-.8859;-5.3377,-1.7337,-1.9507;-6.2158,-2.5212,-.9163;1.8141,-.4309,-.5972;5.7025,-4.2539,.9604;4.1942,-4.031,1.598;4.4205,-3.9825,-.0386;.5793,3.2261,-.1202;2.514,2.0526,.8499;-1.9994,3.2241,-1.4143;-2.6748,1.6435,-1.7776;-4.3563,2.8196,-.2619;-4.1641,2.5434,1.4907;3.5098,-1.5975,-1.4113;4.0588,-.4137,-2.5709;6.2639,-.1816,-3.1165;4.1165,-1.7471,.903;5.5009,-2.0615,1.953;7.7503,-2.5237,.9771;8.6599,-.6807,-2.7896;9.4131,-1.8623,-.7256;-5.4269,-2.1728,-2.9441;-4.2915,-1.7951,-1.6364;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1758268 0.0397655 0.0379413</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.329772" y3="1.462827" z3="-1.535772">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.854465" y3="0.565508" z3="0.377769">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.802622" y3="0.029152" z3="2.508879">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.326651" y3="2.058858" z3="3.702138">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.405501" y3="1.315367" z3="-0.269877">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.251857" y3="1.092946" z3="3.003443">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.143286" y3="-3.731913" z3="-1.0091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.935174" y3="-1.78943" z3="-0.138057">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.253664" y3="1.703598" z3="1.171456">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.345071" y3="0.337825" z3="-0.277182">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.701305" y3="-0.304817" z3="-2.099863">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.089971" y3="1.809293" z3="-1.778251">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.939732" y3="-3.743156" z3="0.902519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.324872" y3="0.165898" z3="-3.202952">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.533739" y3="1.430742" z3="-3.001327">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.47075" y3="2.125377" z3="-0.024099">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.714174" y3="1.348451" z3="0.518844">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.746193" y3="0.86116" z3="1.631059">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.643839" y3="1.769784" z3="1.374896">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.448616" y3="2.020533" z3="0.314894">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.982112" y3="2.169159" z3="-1.120916">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.930974" y3="2.19323" z3="0.484531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.67027" y3="0.396655" z3="-0.616175">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.118142" y3="1.619343" z3="2.836187">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.15721" y3="-0.769318" z3="-1.485228">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.620982" y3="-1.10084" z3="-1.270612">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.09354" y3="-1.766951" z3="-0.119448">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.551856" y3="-0.708183" z3="-2.240107">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.575771" y3="0.714162" z3="-1.220778">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.169038" y3="-2.237002" z3="0.976288">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.467277" y3="-2.005152" z3="0.03224">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.914297" y3="-0.96512" z3="-2.090859">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.37759" y3="-1.615557" z3="-0.947536">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.361892" y3="-1.714054" z3="-1.959776">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.257131" y3="-2.487499" z3="-0.929404">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.792166" y3="-0.450033" z3="-0.58634">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.819175" y3="-4.258483" z3="0.998539">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.314133" y3="-4.05819" z3="1.650473">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.521496" y3="-4.025064" z3="0.011311">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.575983" y3="3.209384" z3="-0.107668">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.493802" y3="2.021632" z3="0.879888">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.995465" y3="3.22372" z3="-1.420416">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.678783" y3="1.646682" z3="-1.78443">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.360443" y3="2.840911" z3="-0.282131">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.181054" y3="2.567738" z3="1.47256">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.5112" y3="-1.641752" z3="-1.346677">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.013933" y3="-0.45777" z3="-2.525837">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.198932" y3="-0.191446" z3="-3.127663">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.179183" y3="-1.786871" z3="0.942502">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.592482" y3="-2.05961" z3="1.965311">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.829894" y3="-2.492527" z3="0.934005">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.610461" y3="-0.650784" z3="-2.862156">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.436569" y3="-1.810614" z3="-0.81366">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.445427" y3="-2.157974" z3="-2.951507">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.319458" y3="-1.783031" z3="-1.634586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3298,1.4628,-1.5358;-4.8545,.5655,.3778;.8026,.0292,2.5089;-1.3267,2.0589,3.7021;4.4055,1.3154,-.2699;-3.2519,1.0929,3.0034;-6.1433,-3.7319,-1.0091;-6.9352,-1.7894,-.1381;-.2537,1.7036,1.1715;2.3451,.3378,-.2772;-5.7013,-.3048,-2.0999;-6.09,1.8093,-1.7783;4.9397,-3.7432,.9025;-6.3249,.1659,-3.203;-6.5337,1.4307,-3.0013;.4708,2.1254,-.0241;1.7142,1.3485,.5188;.7462,.8612,1.6311;-1.6438,1.7698,1.3749;-2.4486,2.0205,.3149;-1.9821,2.1692,-1.1209;-3.931,2.1932,.4845;3.6703,.3967,-.6162;-2.1181,1.6193,2.8362;4.1572,-.7693,-1.4852;5.621,-1.1008,-1.2706;6.0935,-1.767,-.1194;6.5519,-.7082,-2.2401;-5.5758,.7142,-1.2208;5.169,-2.237,.9763;7.4673,-2.0052,.0322;7.9143,-.9651,-2.0909;8.3776,-1.6156,-.9475;-5.3619,-1.7141,-1.9598;-6.2571,-2.4875,-.9294;1.7922,-.45,-.5863;5.8192,-4.2585,.9985;4.3141,-4.0582,1.6505;4.5215,-4.0251,.0113;.576,3.2094,-.1077;2.4938,2.0216,.8799;-1.9955,3.2237,-1.4204;-2.6788,1.6467,-1.7844;-4.3604,2.8409,-.2821;-4.1811,2.5677,1.4726;3.5112,-1.6418,-1.3467;4.0139,-.4578,-2.5258;6.1989,-.1914,-3.1277;4.1792,-1.7869,.9425;5.5925,-2.0596,1.9653;7.8299,-2.4925,.934;8.6105,-.6508,-2.8622;9.4366,-1.8106,-.8137;-5.4454,-2.158,-2.9515;-4.3195,-1.783,-1.6346;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1760740 0.0395161 0.0377190</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.323353" y3="1.476681" z3="-1.541075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.82912" y3="0.540066" z3="0.392328">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841188" y3="0.039933" z3="2.496118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302567" y3="2.05916" z3="3.703574">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.41083" y3="1.357477" z3="-0.327943">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.22022" y3="1.0741" z3="3.010487">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.096621" y3="-3.761336" z3="-1.012669">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.901266" y3="-1.832358" z3="-0.123781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.234072" y3="1.709319" z3="1.167108">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.361366" y3="0.358408" z3="-0.297867">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.6920" y3="-0.322642" z3="-2.083099">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.089308" y3="1.787709" z3="-1.747413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.853585" y3="-3.716952" z3="0.881163">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.326894" y3="0.150689" z3="-3.178741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.541197" y3="1.413172" z3="-2.968622">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.481453" y3="2.138313" z3="-0.03147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.732067" y3="1.367005" z3="0.502378">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.773592" y3="0.872748" z3="1.619807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.624034" y3="1.765707" z3="1.377447">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.435669" y3="2.014391" z3="0.322411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.977326" y3="2.172355" z3="-1.114931">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.918694" y3="2.174562" z3="0.499836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.680229" y3="0.429269" z3="-0.65815">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.091777" y3="1.610612" z3="2.840136">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.168189" y3="-0.736537" z3="-1.526483">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.622264" y3="-1.088692" z3="-1.281138">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.058767" y3="-1.762971" z3="-0.120764">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.579738" y3="-0.709277" z3="-2.229709">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.565235" y3="0.692229" z3="-1.199444">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.103735" y3="-2.214795" z3="0.956539">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.424578" y3="-2.026137" z3="0.058419">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.934217" y3="-0.989237" z3="-2.052036">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.361934" y3="-1.650589" z3="-0.901162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.341187" y3="-1.730363" z3="-1.955595">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.222007" y3="-2.518599" z3="-0.924366">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.809772" y3="-0.432717" z3="-0.60087">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.725682" y3="-4.243505" z3="0.98573">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.216852" y3="-4.023435" z3="1.62327">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.439995" y3="-3.991902" z3="-0.014319">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.58063" y3="3.223101" z3="-0.112061">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.510982" y3="2.043754" z3="0.858372">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.997655" y3="3.228348" z3="-1.409039">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.674424" y3="1.649586" z3="-1.777738">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.357134" y3="2.820483" z3="-0.263157">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.167133" y3="2.545693" z3="1.489599">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.509678" y3="-1.602472" z3="-1.408256">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.052382" y3="-0.415267" z3="-2.567419">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.254354" y3="-0.185956" z3="-3.123869">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.122098" y3="-1.748369" z3="0.901201">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.509709" y3="-2.041067" z3="1.953659">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.759677" y3="-2.521916" z3="0.9660">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.651758" y3="-0.684919" z3="-2.807592">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.414297" y3="-1.864438" z3="-0.745622">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.429652" y3="-2.167699" z3="-2.949835">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.295401" y3="-1.793935" z3="-1.640006">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3234,1.4767,-1.5411;-4.8291,.5401,.3923;.8412,.0399,2.4961;-1.3026,2.0592,3.7036;4.4108,1.3575,-.3279;-3.2202,1.0741,3.0105;-6.0966,-3.7613,-1.0127;-6.9013,-1.8324,-.1238;-.2341,1.7093,1.1671;2.3614,.3584,-.2979;-5.692,-.3226,-2.0831;-6.0893,1.7877,-1.7474;4.8536,-3.717,.8812;-6.3269,.1507,-3.1787;-6.5412,1.4132,-2.9686;.4815,2.1383,-.0315;1.7321,1.367,.5024;.7736,.8727,1.6198;-1.624,1.7657,1.3774;-2.4357,2.0144,.3224;-1.9773,2.1724,-1.1149;-3.9187,2.1746,.4998;3.6802,.4293,-.6582;-2.0918,1.6106,2.8401;4.1682,-.7365,-1.5265;5.6223,-1.0887,-1.2811;6.0588,-1.763,-.1208;6.5797,-.7093,-2.2297;-5.5652,.6922,-1.1994;5.1037,-2.2148,.9565;7.4246,-2.0261,.0584;7.9342,-.9892,-2.052;8.3619,-1.6506,-.9012;-5.3412,-1.7304,-1.9556;-6.222,-2.5186,-.9244;1.8098,-.4327,-.6009;5.7257,-4.2435,.9857;4.2169,-4.0234,1.6233;4.44,-3.9919,-.0143;.5806,3.2231,-.1121;2.511,2.0438,.8584;-1.9977,3.2283,-1.409;-2.6744,1.6496,-1.7777;-4.3571,2.8205,-.2632;-4.1671,2.5457,1.4896;3.5097,-1.6025,-1.4083;4.0524,-.4153,-2.5674;6.2544,-.186,-3.1239;4.1221,-1.7484,.9012;5.5097,-2.0411,1.9537;7.7597,-2.5219,.966;8.6518,-.6849,-2.8076;9.4143,-1.8644,-.7456;-5.4297,-2.1677,-2.9498;-4.2954,-1.7939,-1.64;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1757823 0.0397349 0.0379129</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.322516" y3="1.480106" z3="-1.542588">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.828278" y3="0.539952" z3="0.392481">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.843934" y3="0.040455" z3="2.493084">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.301451" y3="2.054112" z3="3.702655">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.412953" y3="1.360323" z3="-0.330578">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.217544" y3="1.066811" z3="3.008484">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.097396" y3="-3.761738" z3="-1.006944">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.89939" y3="-1.831242" z3="-0.119001">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.233288" y3="1.709914" z3="1.16568">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.362504" y3="0.362643" z3="-0.300912">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.692064" y3="-0.324747" z3="-2.081739">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.088229" y3="1.786096" z3="-1.748112">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.847807" y3="-3.716995" z3="0.875509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.326504" y3="0.147654" z3="-3.17786">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.540109" y3="1.410555" z3="-2.969038">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.48181" y3="2.141002" z3="-0.032389">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.733201" y3="1.370287" z3="0.500505">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.77535" y3="0.873982" z3="1.617538">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.623237" y3="1.764672" z3="1.37615">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.435121" y3="2.01424" z3="0.321509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.977078" y3="2.173895" z3="-1.115695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.917884" y3="2.174645" z3="0.499578">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.681666" y3="0.432567" z3="-0.660433">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.090325" y3="1.606004" z3="2.838694">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.169128" y3="-0.734957" z3="-1.527042">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.622683" y3="-1.088118" z3="-1.280285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.057347" y3="-1.762661" z3="-0.119326">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.58146" y3="-0.709433" z3="-2.227744">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.564099" y3="0.691125" z3="-1.199363">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.100576" y3="-2.215584" z3="0.955945">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.422813" y3="-2.026107" z3="0.061871">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.935629" y3="-0.989774" z3="-2.048099">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.361606" y3="-1.65083" z3="-0.896431">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.34133" y3="-1.732344" z3="-1.952668">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.221425" y3="-2.51885" z3="-0.919472">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.811323" y3="-0.429136" z3="-0.602892">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.718987" y3="-4.245235" z3="0.979114">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.210071" y3="-4.024865" z3="1.61616">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.434448" y3="-3.988441" z3="-0.021146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.579914" y3="3.225995" z3="-0.11187">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.512145" y3="2.046977" z3="0.856392">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.998423" y3="3.230161" z3="-1.408774">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.6738" y3="1.651072" z3="-1.77888">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.356481" y3="2.820937" z3="-0.263068">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.165718" y3="2.545376" z3="1.489641">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.509709" y3="-1.600037" z3="-1.407714">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.054117" y3="-0.415082" z3="-2.568459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.257444" y3="-0.186343" z3="-3.122535">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.119867" y3="-1.747033" z3="0.901578">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.506358" y3="-2.045881" z3="1.953835">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.756381" y3="-2.522096" z3="0.96991">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.654301" y3="-0.685892" z3="-2.802759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.413718" y3="-1.864797" z3="-0.739348">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.43053" y3="-2.171051" z3="-2.94623">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.29538" y3="-1.795501" z3="-1.637579">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3225,1.4801,-1.5426;-4.8283,.54,.3925;.8439,.0405,2.4931;-1.3015,2.0541,3.7027;4.413,1.3603,-.3306;-3.2175,1.0668,3.0085;-6.0974,-3.7617,-1.0069;-6.8994,-1.8312,-.119;-.2333,1.7099,1.1657;2.3625,.3626,-.3009;-5.6921,-.3247,-2.0817;-6.0882,1.7861,-1.7481;4.8478,-3.717,.8755;-6.3265,.1477,-3.1779;-6.5401,1.4106,-2.969;.4818,2.141,-.0324;1.7332,1.3703,.5005;.7753,.874,1.6175;-1.6232,1.7647,1.3761;-2.4351,2.0142,.3215;-1.9771,2.1739,-1.1157;-3.9179,2.1746,.4996;3.6817,.4326,-.6604;-2.0903,1.606,2.8387;4.1691,-.735,-1.527;5.6227,-1.0881,-1.2803;6.0573,-1.7627,-.1193;6.5815,-.7094,-2.2277;-5.5641,.6911,-1.1994;5.1006,-2.2156,.9559;7.4228,-2.0261,.0619;7.9356,-.9898,-2.0481;8.3616,-1.6508,-.8964;-5.3413,-1.7323,-1.9527;-6.2214,-2.5189,-.9195;1.8113,-.4291,-.6029;5.719,-4.2452,.9791;4.2101,-4.0249,1.6162;4.4344,-3.9884,-.0211;.5799,3.226,-.1119;2.5121,2.047,.8564;-1.9984,3.2302,-1.4088;-2.6738,1.6511,-1.7789;-4.3565,2.8209,-.2631;-4.1657,2.5454,1.4896;3.5097,-1.6,-1.4077;4.0541,-.4151,-2.5685;6.2574,-.1863,-3.1225;4.1199,-1.747,.9016;5.5064,-2.0459,1.9538;7.7564,-2.5221,.9699;8.6543,-.6859,-2.8028;9.4137,-1.8648,-.7393;-5.4305,-2.1711,-2.9462;-4.2954,-1.7955,-1.6376;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1758502 0.0397396 0.0379273</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.322757" y3="1.48529" z3="-1.544163">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.824174" y3="0.535728" z3="0.394457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.849727" y3="0.046702" z3="2.490508">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.297925" y3="2.057455" z3="3.702027">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.416015" y3="1.363439" z3="-0.331324">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.212167" y3="1.065258" z3="3.009676">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.084714" y3="-3.767799" z3="-1.007814">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.889452" y3="-1.840349" z3="-0.115743">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.231146" y3="1.714727" z3="1.164202">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.363507" y3="0.369983" z3="-0.305702">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.68995" y3="-0.328579" z3="-2.079218">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.090023" y3="1.781112" z3="-1.743044">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.835526" y3="-3.717074" z3="0.869453">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.326837" y3="0.14346" z3="-3.17399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.542872" y3="1.405734" z3="-2.963642">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.482241" y3="2.146825" z3="-0.03457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.735039" y3="1.377382" z3="0.49672">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779012" y3="0.880022" z3="1.614933">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.621067" y3="1.766891" z3="1.375859">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.434413" y3="2.015173" z3="0.322065">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.977967" y3="2.176316" z3="-1.115409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.917335" y3="2.172415" z3="0.501467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.683446" y3="0.437312" z3="-0.662795">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.086454" y3="1.607217" z3="2.838849">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.169894" y3="-0.731029" z3="-1.529128">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.622136" y3="-1.087434" z3="-1.279836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.052753" y3="-1.764391" z3="-0.11874">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.583751" y3="-0.70959" z3="-2.224681">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.562764" y3="0.686753" z3="-1.196076">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.092672" y3="-2.216693" z3="0.953834">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.417225" y3="-2.031114" z3="0.065053">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.936944" y3="-0.993032" z3="-2.042357">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.358947" y3="-1.656575" z3="-0.890682">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.33527" y3="-1.735371" z3="-1.952284">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.21144" y3="-2.525325" z3="-0.918424">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.811744" y3="-0.421376" z3="-0.60771">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.705207" y3="-4.247855" z3="0.972707">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.196228" y3="-4.025009" z3="1.608727">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.422324" y3="-3.985079" z3="-0.028289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.579054" y3="3.231941" z3="-0.113923">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.514262" y3="2.054343" z3="0.851447">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.001198" y3="3.232738" z3="-1.407818">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.674474" y3="1.652829" z3="-1.778306">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.357954" y3="2.817979" z3="-0.260651">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.165284" y3="2.542392" z3="1.491789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.508477" y3="-1.594713" z3="-1.4109">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.057187" y3="-0.410832" z3="-2.570686">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.262821" y3="-0.184796" z3="-3.119586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.113506" y3="-1.744928" z3="0.899042">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.497369" y3="-2.050497" z3="1.952773">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.747654" y3="-2.529261" z3="0.973054">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.657938" y3="-0.689628" z3="-2.794997">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.410251" y3="-1.87299" z3="-0.731556">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.424982" y3="-2.17327" z3="-2.946158">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.288585" y3="-1.796035" z3="-1.639098">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3228,1.4853,-1.5442;-4.8242,.5357,.3945;.8497,.0467,2.4905;-1.2979,2.0575,3.702;4.416,1.3634,-.3313;-3.2122,1.0653,3.0097;-6.0847,-3.7678,-1.0078;-6.8895,-1.8403,-.1157;-.2311,1.7147,1.1642;2.3635,.37,-.3057;-5.6899,-.3286,-2.0792;-6.09,1.7811,-1.743;4.8355,-3.7171,.8695;-6.3268,.1435,-3.174;-6.5429,1.4057,-2.9636;.4822,2.1468,-.0346;1.735,1.3774,.4967;.779,.88,1.6149;-1.6211,1.7669,1.3759;-2.4344,2.0152,.3221;-1.978,2.1763,-1.1154;-3.9173,2.1724,.5015;3.6834,.4373,-.6628;-2.0865,1.6072,2.8388;4.1699,-.731,-1.5291;5.6221,-1.0874,-1.2798;6.0528,-1.7644,-.1187;6.5838,-.7096,-2.2247;-5.5628,.6868,-1.1961;5.0927,-2.2167,.9538;7.4172,-2.0311,.0651;7.9369,-.993,-2.0424;8.3589,-1.6566,-.8907;-5.3353,-1.7354,-1.9523;-6.2114,-2.5253,-.9184;1.8117,-.4214,-.6077;5.7052,-4.2479,.9727;4.1962,-4.025,1.6087;4.4223,-3.9851,-.0283;.5791,3.2319,-.1139;2.5143,2.0543,.8514;-2.0012,3.2327,-1.4078;-2.6745,1.6528,-1.7783;-4.358,2.818,-.2607;-4.1653,2.5424,1.4918;3.5085,-1.5947,-1.4109;4.0572,-.4108,-2.5707;6.2628,-.1848,-3.1196;4.1135,-1.7449,.899;5.4974,-2.0505,1.9528;7.7477,-2.5293,.9731;8.6579,-.6896,-2.795;9.4103,-1.873,-.7316;-5.425,-2.1733,-2.9462;-4.2886,-1.796,-1.6391;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1756890 0.0397802 0.0379568</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.323277" y3="1.485177" z3="-1.544062">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.826813" y3="0.538162" z3="0.392376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.845179" y3="0.044842" z3="2.490805">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.301581" y3="2.057316" z3="3.701599">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.416742" y3="1.356544" z3="-0.320636">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.215988" y3="1.066433" z3="3.007884">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.092637" y3="-3.764526" z3="-1.007853">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.89439" y3="-1.835451" z3="-0.116645">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.233356" y3="1.714317" z3="1.164426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.36155" y3="0.368433" z3="-0.304481">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.692849" y3="-0.326519" z3="-2.081056">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.090529" y3="1.783828" z3="-1.746215">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.847153" y3="-3.720367" z3="0.873265">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.328826" y3="0.145609" z3="-3.176308">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.543421" y3="1.408264" z3="-2.966743">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.481126" y3="2.146062" z3="-0.033827">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.7330" y3="1.375607" z3="0.498106">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.775814" y3="0.878557" z3="1.615508">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.623406" y3="1.767231" z3="1.375146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.435939" y3="2.015968" z3="0.32085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.978462" y3="2.176892" z3="-1.11633">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.918861" y3="2.174271" z3="0.499353">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.682976" y3="0.432954" z3="-0.656528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.089831" y3="1.60771" z3="2.837835">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.169186" y3="-0.734965" z3="-1.523635">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.622656" y3="-1.088908" z3="-1.278418">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.057713" y3="-1.765205" z3="-0.118597">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.581008" y3="-0.709211" z3="-2.22584">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.564725" y3="0.68917" z3="-1.198457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.10131" y3="-2.219359" z3="0.95645">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.423189" y3="-2.029275" z3="0.061542">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.935219" y3="-0.990146" z3="-2.047244">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.361604" y3="-1.652907" z3="-0.896729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.33993" y3="-1.733659" z3="-1.953137">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.217386" y3="-2.521818" z3="-0.91899">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.809301" y3="-0.421823" z3="-0.608504">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.717988" y3="-4.249418" z3="0.975559">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.20953" y3="-4.029134" z3="1.613635">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.433161" y3="-3.989783" z3="-0.023704">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.578725" y3="3.231116" z3="-0.113036">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.512395" y3="2.05185" z3="0.853817">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.001018" y3="3.233332" z3="-1.408735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.674764" y3="1.653736" z3="-1.779702">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.358602" y3="2.81995" z3="-0.263172">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.167074" y3="2.544642" z3="1.489461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.509357" y3="-1.599556" z3="-1.402967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.052799" y3="-0.415671" z3="-2.565094">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.256677" y3="-0.184867" z3="-3.119788">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.120956" y3="-1.749877" z3="0.903725">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.507918" y3="-2.05187" z3="1.954391">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.757055" y3="-2.526713" z3="0.968682">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.653589" y3="-0.685351" z3="-2.80183">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.413747" y3="-1.867307" z3="-0.740445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.429902" y3="-2.17208" z3="-2.946756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.293406" y3="-1.795416" z3="-1.639617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3233,1.4852,-1.5441;-4.8268,.5382,.3924;.8452,.0448,2.4908;-1.3016,2.0573,3.7016;4.4167,1.3565,-.3206;-3.216,1.0664,3.0079;-6.0926,-3.7645,-1.0079;-6.8944,-1.8355,-.1166;-.2334,1.7143,1.1644;2.3615,.3684,-.3045;-5.6928,-.3265,-2.0811;-6.0905,1.7838,-1.7462;4.8472,-3.7204,.8733;-6.3288,.1456,-3.1763;-6.5434,1.4083,-2.9667;.4811,2.1461,-.0338;1.733,1.3756,.4981;.7758,.8786,1.6155;-1.6234,1.7672,1.3751;-2.4359,2.016,.3209;-1.9785,2.1769,-1.1163;-3.9189,2.1743,.4994;3.683,.433,-.6565;-2.0898,1.6077,2.8378;4.1692,-.735,-1.5236;5.6227,-1.0889,-1.2784;6.0577,-1.7652,-.1186;6.581,-.7092,-2.2258;-5.5647,.6892,-1.1985;5.1013,-2.2194,.9565;7.4232,-2.0293,.0615;7.9352,-.9901,-2.0472;8.3616,-1.6529,-.8967;-5.3399,-1.7337,-1.9531;-6.2174,-2.5218,-.919;1.8093,-.4218,-.6085;5.718,-4.2494,.9756;4.2095,-4.0291,1.6136;4.4332,-3.9898,-.0237;.5787,3.2311,-.113;2.5124,2.0518,.8538;-2.001,3.2333,-1.4087;-2.6748,1.6537,-1.7797;-4.3586,2.8199,-.2632;-4.1671,2.5446,1.4895;3.5094,-1.5996,-1.403;4.0528,-.4157,-2.5651;6.2567,-.1849,-3.1198;4.121,-1.7499,.9037;5.5079,-2.0519,1.9544;7.7571,-2.5267,.9687;8.6536,-.6854,-2.8018;9.4137,-1.8673,-.7404;-5.4299,-2.1721,-2.9468;-4.2934,-1.7954,-1.6396;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1757354 0.0397422 0.0379242</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.324319" y3="1.48559" z3="-1.544353">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.829005" y3="0.540421" z3="0.391069">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841265" y3="0.044929" z3="2.49083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.304092" y3="2.058838" z3="3.700838">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.417636" y3="1.350652" z3="-0.310239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.219061" y3="1.069336" z3="3.006757">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.096813" y3="-3.762637" z3="-1.006563">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.897037" y3="-1.832408" z3="-0.116481">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.235409" y3="1.715309" z3="1.164145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.359654" y3="0.368229" z3="-0.303944">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.694632" y3="-0.325637" z3="-2.081976">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.091182" y3="1.785203" z3="-1.748994">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.856046" y3="-3.724966" z3="0.874084">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.329903" y3="0.145987" z3="-3.177871">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.543775" y3="1.408944" z3="-2.969424">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.479801" y3="2.146421" z3="-0.033912">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.731008" y3="1.375341" z3="0.498636">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.772979" y3="0.878766" z3="1.615575">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.625539" y3="1.768723" z3="1.374301">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.437614" y3="2.017373" z3="0.319645">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.979493" y3="2.177803" z3="-1.1174">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.920566" y3="2.176291" z3="0.497487">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.682638" y3="0.429665" z3="-0.65061">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.092465" y3="1.609762" z3="2.836901">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.168662" y3="-0.737835" z3="-1.518445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.623095" y3="-1.089924" z3="-1.276529">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.061556" y3="-1.766781" z3="-0.118325">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.578967" y3="-0.707928" z3="-2.225543">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566205" y3="0.690684" z3="-1.200157">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.107947" y3="-2.223579" z3="0.958057">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.427801" y3="-2.028867" z3="0.058876">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.933961" y3="-0.98699" z3="-2.049985">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.363696" y3="-1.650142" z3="-0.900934">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.34241" y3="-1.732848" z3="-1.952893">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.220553" y3="-2.519774" z3="-0.918415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.806812" y3="-0.420749" z3="-0.610212">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.727727" y3="-4.252864" z3="0.974933">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.219723" y3="-4.035191" z3="1.614968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.441385" y3="-3.994416" z3="-0.022584">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.577995" y3="3.231405" z3="-0.113341">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.510535" y3="2.051089" z3="0.85499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.001643" y3="3.234183" z3="-1.410063">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.675664" y3="1.654687" z3="-1.780939">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.359722" y3="2.821699" z3="-0.2656">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.169033" y3="2.547301" z3="1.487292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.510046" y3="-1.603144" z3="-1.396006">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.0494" y3="-0.419093" z3="-2.559772">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.252033" y3="-0.183159" z3="-3.118299">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.126689" y3="-1.755837" z3="0.907359">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.515915" y3="-2.056145" z3="1.955439">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.764287" y3="-2.526592" z3="0.964914">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.650328" y3="-0.680414" z3="-2.805754">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.416477" y3="-1.863095" z3="-0.746982">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.432272" y3="-2.171976" z3="-2.94621">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.296008" y3="-1.794851" z3="-1.639006">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3243,1.4856,-1.5444;-4.829,.5404,.3911;.8413,.0449,2.4908;-1.3041,2.0588,3.7008;4.4176,1.3507,-.3102;-3.2191,1.0693,3.0068;-6.0968,-3.7626,-1.0066;-6.897,-1.8324,-.1165;-.2354,1.7153,1.1641;2.3597,.3682,-.3039;-5.6946,-.3256,-2.082;-6.0912,1.7852,-1.749;4.856,-3.725,.8741;-6.3299,.146,-3.1779;-6.5438,1.4089,-2.9694;.4798,2.1464,-.0339;1.731,1.3753,.4986;.773,.8788,1.6156;-1.6255,1.7687,1.3743;-2.4376,2.0174,.3196;-1.9795,2.1778,-1.1174;-3.9206,2.1763,.4975;3.6826,.4297,-.6506;-2.0925,1.6098,2.8369;4.1687,-.7378,-1.5184;5.6231,-1.0899,-1.2765;6.0616,-1.7668,-.1183;6.579,-.7079,-2.2255;-5.5662,.6907,-1.2002;5.1079,-2.2236,.9581;7.4278,-2.0289,.0589;7.934,-.987,-2.05;8.3637,-1.6501,-.9009;-5.3424,-1.7328,-1.9529;-6.2206,-2.5198,-.9184;1.8068,-.4207,-.6102;5.7277,-4.2529,.9749;4.2197,-4.0352,1.615;4.4414,-3.9944,-.0226;.578,3.2314,-.1133;2.5105,2.0511,.855;-2.0016,3.2342,-1.4101;-2.6757,1.6547,-1.7809;-4.3597,2.8217,-.2656;-4.169,2.5473,1.4873;3.51,-1.6031,-1.396;4.0494,-.4191,-2.5598;6.252,-.1832,-3.1183;4.1267,-1.7558,.9074;5.5159,-2.0561,1.9554;7.7643,-2.5266,.9649;8.6503,-.6804,-2.8058;9.4165,-1.8631,-.747;-5.4323,-2.172,-2.9462;-4.296,-1.7949,-1.639;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1757326 0.0397156 0.0378995</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.324956" y3="1.487413" z3="-1.543806">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.833206" y3="0.546388" z3="0.388762">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.831959" y3="0.046034" z3="2.492725">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.310961" y3="2.063617" z3="3.699688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.418738" y3="1.340611" z3="-0.289408">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.227472" y3="1.078469" z3="3.003744">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.10378" y3="-3.759668" z3="-0.998441">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.90268" y3="-1.82546" z3="-0.115824">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.239863" y3="1.718449" z3="1.164768">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.355881" y3="0.368404" z3="-0.300271">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.694008" y3="-0.326616" z3="-2.083501">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.088339" y3="1.785907" z3="-1.75859">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.871765" y3="-3.736327" z3="0.871834">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.325856" y3="0.142264" z3="-3.182573">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.538401" y3="1.406213" z3="-2.978879">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.477606" y3="2.148162" z3="-0.032417">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.726988" y3="1.375512" z3="0.502053">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.766502" y3="0.880107" z3="1.617496">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.63028" y3="1.773257" z3="1.372854">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.440669" y3="2.021631" z3="0.316847">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.980372" y3="2.180685" z3="-1.11965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.923759" y3="2.181789" z3="0.492428">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.68136" y3="0.424587" z3="-0.638051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.099331" y3="1.616081" z3="2.834948">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.16645" y3="-0.741622" z3="-1.508242">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.622564" y3="-1.090992" z3="-1.27304">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.067231" y3="-1.770799" z3="-0.118941">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.573854" y3="-0.703351" z3="-2.224378">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566276" y3="0.69248" z3="-1.204791">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.118791" y3="-2.234267" z3="0.959093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.434836" y3="-2.029624" z3="0.052423">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.93024" y3="-0.979326" z3="-2.054835">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.366095" y3="-1.645048" z3="-0.909568">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.343873" y3="-1.733846" z3="-1.949014">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.225586" y3="-2.516331" z3="-0.914246">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.801699" y3="-0.417786" z3="-0.611285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.745312" y3="-4.261694" z3="0.969449">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.238058" y3="-4.05032" z3="1.613389">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.456028" y3="-4.005159" z3="-0.024554">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.577273" y3="3.232973" z3="-0.112295">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.506766" y3="2.050062" z3="0.860103">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.0016" y3="3.236852" z3="-1.413134">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.675855" y3="1.657441" z3="-1.78381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.361531" y3="2.825826" z3="-0.272605">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.173163" y3="2.55509" z3="1.481135">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.509742" y3="-1.60807" z3="-1.383155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.041815" y3="-0.422939" z3="-2.5490">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.242158" y3="-0.176409" z3="-3.114103">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.135726" y3="-1.770033" z3="0.912666">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.529119" y3="-2.068225" z3="1.955722">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.77604" y3="-2.529482" z3="0.955545">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.642938" y3="-0.668365" z3="-2.812281">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.420027" y3="-1.855606" z3="-0.760258">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.431743" y3="-2.176057" z3="-2.941136">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.298352" y3="-1.796092" z3="-1.632246">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.325,1.4874,-1.5438;-4.8332,.5464,.3888;.832,.046,2.4927;-1.311,2.0636,3.6997;4.4187,1.3406,-.2894;-3.2275,1.0785,3.0037;-6.1038,-3.7597,-.9984;-6.9027,-1.8255,-.1158;-.2399,1.7184,1.1648;2.3559,.3684,-.3003;-5.694,-.3266,-2.0835;-6.0883,1.7859,-1.7586;4.8718,-3.7363,.8718;-6.3259,.1423,-3.1826;-6.5384,1.4062,-2.9789;.4776,2.1482,-.0324;1.727,1.3755,.5021;.7665,.8801,1.6175;-1.6303,1.7733,1.3729;-2.4407,2.0216,.3168;-1.9804,2.1807,-1.1197;-3.9238,2.1818,.4924;3.6814,.4246,-.6381;-2.0993,1.6161,2.8349;4.1665,-.7416,-1.5082;5.6226,-1.091,-1.273;6.0672,-1.7708,-.1189;6.5739,-.7034,-2.2244;-5.5663,.6925,-1.2048;5.1188,-2.2343,.9591;7.4348,-2.0296,.0524;7.9302,-.9793,-2.0548;8.3661,-1.645,-.9096;-5.3439,-1.7338,-1.949;-6.2256,-2.5163,-.9142;1.8017,-.4178,-.6113;5.7453,-4.2617,.9694;4.2381,-4.0503,1.6134;4.456,-4.0052,-.0246;.5773,3.233,-.1123;2.5068,2.0501,.8601;-2.0016,3.2369,-1.4131;-2.6759,1.6574,-1.7838;-4.3615,2.8258,-.2726;-4.1732,2.5551,1.4811;3.5097,-1.6081,-1.3832;4.0418,-.4229,-2.549;6.2422,-.1764,-3.1141;4.1357,-1.77,.9127;5.5291,-2.0682,1.9557;7.776,-2.5295,.9555;8.6429,-.6684,-2.8123;9.42,-1.8556,-.7603;-5.4317,-2.1761,-2.9411;-4.2984,-1.7961,-1.6322;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1756152 0.0396846 0.0378678</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.324694" y3="1.486446" z3="-1.544383">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.832821" y3="0.546273" z3="0.389424">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.833479" y3="0.046057" z3="2.492179">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.309441" y3="2.063488" z3="3.699263">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.418358" y3="1.343412" z3="-0.293901">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.226356" y3="1.07869" z3="3.003959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.104233" y3="-3.75987" z3="-0.996043">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.902703" y3="-1.825313" z3="-0.113804">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.239046" y3="1.717942" z3="1.1641">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.356967" y3="0.368186" z3="-0.300818">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.694618" y3="-0.327161" z3="-2.082297">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.088368" y3="1.785541" z3="-1.757868">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.868696" y3="-3.736312" z3="0.869011">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.326798" y3="0.141541" z3="-3.181283">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.538955" y3="1.405591" z3="-2.977895">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.478091" y3="2.147591" z3="-0.033309">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.727767" y3="1.375392" z3="0.501151">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.767621" y3="0.879975" z3="1.616837">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.629419" y3="1.772754" z3="1.37254">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.440039" y3="2.020984" z3="0.31668">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.980054" y3="2.179735" z3="-1.119965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.923078" y3="2.181521" z3="0.492506">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.681855" y3="0.425977" z3="-0.64065">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.098119" y3="1.61596" z3="2.834789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.167622" y3="-0.740301" z3="-1.510349">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.623352" y3="-1.089977" z3="-1.27316">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.066046" y3="-1.770577" z3="-0.1188">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.576202" y3="-0.701932" z3="-2.222778">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.56638" y3="0.692145" z3="-1.20392">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.115788" y3="-2.234356" z3="0.95751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.43331" y3="-2.029955" z3="0.054476">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.932249" y3="-0.978372" z3="-2.051306">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.366155" y3="-1.645018" z3="-0.905828">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.344627" y3="-1.734418" z3="-1.947617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.225955" y3="-2.516501" z3="-0.912239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.803227" y3="-0.418632" z3="-0.611025">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.742175" y3="-4.261744" z3="0.966996">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.234341" y3="-4.050803" z3="1.609799">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.453729" y3="-4.004426" z3="-0.027954">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.577493" y3="3.232415" z3="-0.113401">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.507302" y3="2.050393" z3="0.858903">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.001354" y3="3.235852" z3="-1.413632">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.675685" y3="1.656363" z3="-1.783868">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.360795" y3="2.825405" z3="-0.272691">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.172251" y3="2.55524" z3="1.481117">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.510685" y3="-1.606698" z3="-1.386171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.044478" y3="-0.421467" z3="-2.55123">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.246012" y3="-0.174373" z3="-3.112694">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.132893" y3="-1.769864" z3="0.909743">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.524567" y3="-2.068831" z3="1.954873">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.772978" y3="-2.530532" z3="0.957779">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.646206" y3="-0.667076" z3="-2.807429">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.419796" y3="-1.855976" z3="-0.755041">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.433042" y3="-2.176853" z3="-2.939591">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.298956" y3="-1.796742" z3="-1.631354">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3247,1.4864,-1.5444;-4.8328,.5463,.3894;.8335,.0461,2.4922;-1.3094,2.0635,3.6993;4.4184,1.3434,-.2939;-3.2264,1.0787,3.004;-6.1042,-3.7599,-.996;-6.9027,-1.8253,-.1138;-.239,1.7179,1.1641;2.357,.3682,-.3008;-5.6946,-.3272,-2.0823;-6.0884,1.7855,-1.7579;4.8687,-3.7363,.869;-6.3268,.1415,-3.1813;-6.539,1.4056,-2.9779;.4781,2.1476,-.0333;1.7278,1.3754,.5012;.7676,.88,1.6168;-1.6294,1.7728,1.3725;-2.44,2.021,.3167;-1.9801,2.1797,-1.12;-3.9231,2.1815,.4925;3.6819,.426,-.6407;-2.0981,1.616,2.8348;4.1676,-.7403,-1.5103;5.6234,-1.09,-1.2732;6.066,-1.7706,-.1188;6.5762,-.7019,-2.2228;-5.5664,.6921,-1.2039;5.1158,-2.2344,.9575;7.4333,-2.03,.0545;7.9322,-.9784,-2.0513;8.3662,-1.645,-.9058;-5.3446,-1.7344,-1.9476;-6.226,-2.5165,-.9122;1.8032,-.4186,-.611;5.7422,-4.2617,.967;4.2343,-4.0508,1.6098;4.4537,-4.0044,-.028;.5775,3.2324,-.1134;2.5073,2.0504,.8589;-2.0014,3.2359,-1.4136;-2.6757,1.6564,-1.7839;-4.3608,2.8254,-.2727;-4.1723,2.5552,1.4811;3.5107,-1.6067,-1.3862;4.0445,-.4215,-2.5512;6.246,-.1744,-3.1127;4.1329,-1.7699,.9097;5.5246,-2.0688,1.9549;7.773,-2.5305,.9578;8.6462,-.6671,-2.8074;9.4198,-1.856,-.755;-5.433,-2.1769,-2.9396;-4.299,-1.7967,-1.6314;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1756636 0.0396852 0.0378713</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.323238" y3="1.48671" z3="-1.544731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.833349" y3="0.550029" z3="0.390162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.831573" y3="0.049067" z3="2.493306">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.310638" y3="2.068007" z3="3.697785">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.41775" y3="1.347975" z3="-0.29511">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.229399" y3="1.087052" z3="3.002244">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.10616" y3="-3.760263" z3="-0.979963">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.904313" y3="-1.821311" z3="-0.107161">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.239553" y3="1.720518" z3="1.163558">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.357783" y3="0.369626" z3="-0.298347">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.691519" y3="-0.332325" z3="-2.079613">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.08338" y3="1.78215" z3="-1.764601">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866174" y3="-3.74528" z3="0.855963">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.32117" y3="0.132659" z3="-3.181697">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.532196" y3="1.397753" z3="-2.983899">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.478463" y3="2.149158" z3="-0.033639">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.727681" y3="1.37723" z3="0.502368">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.766576" y3="0.882536" z3="1.617491">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.630064" y3="1.776152" z3="1.3711">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.439866" y3="2.023505" z3="0.314407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.978904" y3="2.18039" z3="-1.122154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.92299" y3="2.185058" z3="0.48891">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.682068" y3="0.42927" z3="-0.64024">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.099808" y3="1.621547" z3="2.833203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.16831" y3="-0.736602" z3="-1.510213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.623621" y3="-1.086955" z3="-1.271442">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.063676" y3="-1.773763" z3="-0.119805">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.578653" y3="-0.693431" z3="-2.216617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.563717" y3="0.690412" z3="-1.205186">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.111006" y3="-2.243497" z3="0.951776">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.430552" y3="-2.033946" z3="0.055321">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.934334" y3="-0.970464" z3="-2.043332">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.365619" y3="-1.643454" z3="-0.900549">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.343227" y3="-1.73943" z3="-1.938747">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.226885" y3="-2.516444" z3="-0.901589">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.804324" y3="-0.417283" z3="-0.608823">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.740544" y3="-4.269615" z3="0.952036">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.231884" y3="-4.064114" z3="1.594973">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.452266" y3="-4.009871" z3="-0.042551">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.577992" y3="3.233903" z3="-0.11463">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.506718" y3="2.052645" z3="0.860445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.000089" y3="3.23615" z3="-1.417109">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.67411" y3="1.656204" z3="-1.785853">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.359913" y3="2.826954" z3="-0.278402">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.172531" y3="2.561778" z3="1.476297">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.511003" y3="-1.602895" z3="-1.387453">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.046608" y3="-0.416773" z3="-2.550949">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.250456" y3="-0.161216" z3="-3.104492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.127739" y3="-1.779888" z3="0.903494">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.51694" y3="-2.082014" z3="1.950974">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.768091" y3="-2.539621" z3="0.956588">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.650069" y3="-0.654855" z3="-2.795978">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.41894" y3="-1.855058" z3="-0.748437">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.430643" y3="-2.185706" z3="-2.929084">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.2981" y3="-1.801577" z3="-1.620664">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3232,1.4867,-1.5447;-4.8333,.55,.3902;.8316,.0491,2.4933;-1.3106,2.068,3.6978;4.4177,1.348,-.2951;-3.2294,1.0871,3.0022;-6.1062,-3.7603,-.98;-6.9043,-1.8213,-.1072;-.2396,1.7205,1.1636;2.3578,.3696,-.2983;-5.6915,-.3323,-2.0796;-6.0834,1.7821,-1.7646;4.8662,-3.7453,.856;-6.3212,.1327,-3.1817;-6.5322,1.3978,-2.9839;.4785,2.1492,-.0336;1.7277,1.3772,.5024;.7666,.8825,1.6175;-1.6301,1.7762,1.3711;-2.4399,2.0235,.3144;-1.9789,2.1804,-1.1222;-3.923,2.1851,.4889;3.6821,.4293,-.6402;-2.0998,1.6215,2.8332;4.1683,-.7366,-1.5102;5.6236,-1.087,-1.2714;6.0637,-1.7738,-.1198;6.5787,-.6934,-2.2166;-5.5637,.6904,-1.2052;5.111,-2.2435,.9518;7.4306,-2.0339,.0553;7.9343,-.9705,-2.0433;8.3656,-1.6435,-.9005;-5.3432,-1.7394,-1.9387;-6.2269,-2.5164,-.9016;1.8043,-.4173,-.6088;5.7405,-4.2696,.952;4.2319,-4.0641,1.595;4.4523,-4.0099,-.0426;.578,3.2339,-.1146;2.5067,2.0526,.8604;-2.0001,3.2361,-1.4171;-2.6741,1.6562,-1.7859;-4.3599,2.827,-.2784;-4.1725,2.5618,1.4763;3.511,-1.6029,-1.3875;4.0466,-.4168,-2.5509;6.2505,-.1612,-3.1045;4.1277,-1.7799,.9035;5.5169,-2.082,1.951;7.7681,-2.5396,.9566;8.6501,-.6549,-2.796;9.4189,-1.8551,-.7484;-5.4306,-2.1857,-2.9291;-4.2981,-1.8016,-1.6207;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1755790 0.0396957 0.0378831</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.318036" y3="1.4898" z3="-1.546349">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.838335" y3="0.568855" z3="0.390663">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.817736" y3="0.065329" z3="2.499515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.320621" y3="2.092862" z3="3.69016">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.417372" y3="1.356835" z3="-0.280407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.246838" y3="1.128162" z3="2.992998">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.117828" y3="-3.759368" z3="-0.910187">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.913323" y3="-1.800987" z3="-0.079432">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.244892" y3="1.735212" z3="1.161129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.357886" y3="0.377283" z3="-0.286258">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.680108" y3="-0.353783" z3="-2.069793">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.063739" y3="1.768096" z3="-1.79722">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.86969" y3="-3.79187" z3="0.80021">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.298396" y3="0.094047" z3="-3.185594">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.50449" y3="1.363514" z3="-3.012983">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.478094" y3="2.15836" z3="-0.03484">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.724352" y3="1.386902" z3="0.508953">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.75796" y3="0.896599" z3="1.621335">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.636169" y3="1.794508" z3="1.363584">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.441708" y3="2.037046" z3="0.302522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.975397" y3="2.185117" z3="-1.133337">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.925357" y3="2.202894" z3="0.47002">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.682391" y3="0.438129" z3="-0.627033">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.111355" y3="1.650488" z3="2.824868">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.169274" y3="-0.725705" z3="-1.499567">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.624304" y3="-1.076397" z3="-1.260514">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.059138" y3="-1.791101" z3="-0.124209">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.584089" y3="-0.655368" z3="-2.188942">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.554422" y3="0.684254" z3="-1.213319">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.101153" y3="-2.290723" z3="0.92886">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.425636" y3="-2.051636" z3="0.053342">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.939506" y3="-0.93204" z3="-2.01351">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.365588" y3="-1.633241" z3="-0.885709">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.339323" y3="-1.759763" z3="-1.900896">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.233493" y3="-2.513781" z3="-0.855988">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.804165" y3="-0.407547" z3="-0.601532">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.749057" y3="-4.30952" z3="0.887126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.237006" y3="-4.13147" z3="1.531413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.460222" y3="-4.041418" z3="-0.104709">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.57894" y3="3.242634" z3="-0.120277">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.501725" y3="2.063221" z3="0.869017">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.995958" y3="3.23915" z3="-1.434451">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.668171" y3="1.65698" z3="-1.796423">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.358349" y3="2.835453" z3="-0.307188">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.177322" y3="2.593207" z3="1.451525">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.51212" y3="-1.592345" z3="-1.378959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.048077" y3="-0.402966" z3="-2.539479">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.259747" y3="-0.10218" z3="-3.065332">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.114892" y3="-1.83367" z3="0.881735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.497321" y3="-2.146985" z3="1.934711">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.758746" y3="-2.57991" z3="0.943269">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.659192" y3="-0.594819" z3="-2.752906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.41862" y3="-1.845311" z3="-0.732245">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.422005" y3="-2.223481" z3="-2.883583">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.296713" y3="-1.820764" z3="-1.574445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.318,1.4898,-1.5463;-4.8383,.5689,.3907;.8177,.0653,2.4995;-1.3206,2.0929,3.6902;4.4174,1.3568,-.2804;-3.2468,1.1282,2.993;-6.1178,-3.7594,-.9102;-6.9133,-1.801,-.0794;-.2449,1.7352,1.1611;2.3579,.3773,-.2863;-5.6801,-.3538,-2.0698;-6.0637,1.7681,-1.7972;4.8697,-3.7919,.8002;-6.2984,.094,-3.1856;-6.5045,1.3635,-3.013;.4781,2.1584,-.0348;1.7244,1.3869,.509;.758,.8966,1.6213;-1.6362,1.7945,1.3636;-2.4417,2.037,.3025;-1.9754,2.1851,-1.1333;-3.9254,2.2029,.47;3.6824,.4381,-.627;-2.1114,1.6505,2.8249;4.1693,-.7257,-1.4996;5.6243,-1.0764,-1.2605;6.0591,-1.7911,-.1242;6.5841,-.6554,-2.1889;-5.5544,.6843,-1.2133;5.1012,-2.2907,.9289;7.4256,-2.0516,.0533;7.9395,-.932,-2.0135;8.3656,-1.6332,-.8857;-5.3393,-1.7598,-1.9009;-6.2335,-2.5138,-.856;1.8042,-.4075,-.6015;5.7491,-4.3095,.8871;4.237,-4.1315,1.5314;4.4602,-4.0414,-.1047;.5789,3.2426,-.1203;2.5017,2.0632,.869;-1.996,3.2391,-1.4345;-2.6682,1.657,-1.7964;-4.3583,2.8355,-.3072;-4.1773,2.5932,1.4515;3.5121,-1.5923,-1.379;4.0481,-.403,-2.5395;6.2597,-.1022,-3.0653;4.1149,-1.8337,.8817;5.4973,-2.147,1.9347;7.7587,-2.5799,.9433;8.6592,-.5948,-2.7529;9.4186,-1.8453,-.7322;-5.422,-2.2235,-2.8836;-4.2967,-1.8208,-1.5744;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1751153 0.0397105 0.0378956</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.319868" y3="1.488829" z3="-1.545093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.837605" y3="0.562863" z3="0.388474">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.819629" y3="0.059174" z3="2.498593">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.31995" y3="2.084319" z3="3.692994">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.418225" y3="1.348368" z3="-0.277546">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.243027" y3="1.113662" z3="2.995236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.117347" y3="-3.758075" z3="-0.938191">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.911502" y3="-1.806324" z3="-0.090709">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.244417" y3="1.730191" z3="1.162745">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.356393" y3="0.37375" z3="-0.288892">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.68611" y3="-0.344355" z3="-2.075479">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.071863" y3="1.775036" z3="-1.786971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.875991" y3="-3.776561" z3="0.824443">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.30846" y3="0.110205" z3="-3.186148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.515906" y3="1.378191" z3="-3.004059">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.477649" y3="2.154962" z3="-0.033262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.724313" y3="1.382714" z3="0.508351">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.758926" y3="0.891221" z3="1.621178">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.635518" y3="1.788507" z3="1.366172">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.441931" y3="2.032868" z3="0.306198">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.976697" y3="2.183952" z3="-1.129645">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.925454" y3="2.197242" z3="0.475428">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.681806" y3="0.431734" z3="-0.626599">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.109625" y3="1.640549" z3="2.82748">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.167655" y3="-0.732873" z3="-1.49867">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.623717" y3="-1.081859" z3="-1.263511">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.064425" y3="-1.785449" z3="-0.122426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.578739" y3="-0.670022" z3="-2.200898">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.559061" y3="0.687962" z3="-1.212284">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.111818" y3="-2.274891" z3="0.940292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.431902" y3="-2.043912" z3="0.050661">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.935076" y3="-0.945019" z3="-2.029853">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.367001" y3="-1.63486" z3="-0.897338">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.343221" y3="-1.750977" z3="-1.916945">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.23367" y3="-2.513001" z3="-0.874568">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.802287" y3="-0.411085" z3="-0.603472">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.753719" y3="-4.296488" z3="0.913774">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.243767" y3="-4.108638" z3="1.559425">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.463824" y3="-4.032104" z3="-0.077527">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.578544" y3="3.239358" z3="-0.117086">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.502553" y3="2.058118" z3="0.868208">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.997114" y3="3.238591" z3="-1.428633">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.670068" y3="1.657317" z3="-1.793317">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.359447" y3="2.833321" z3="-0.298347">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.177037" y3="2.582508" z3="1.459011">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.511446" y3="-1.599782" z3="-1.374865">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.042999" y3="-0.412165" z3="-2.538814">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.249923" y3="-0.125172" z3="-3.080845">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.126206" y3="-1.81613" z3="0.895523">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.514287" y3="-2.124299" z3="1.942593">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.769732" y3="-2.563065" z3="0.94415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.650884" y3="-0.615068" z3="-2.776257">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.420825" y3="-1.845312" z3="-0.747115">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.42807" y3="-2.208295" z3="-2.902449">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.299644" y3="-1.812941" z3="-1.593776">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3199,1.4888,-1.5451;-4.8376,.5629,.3885;.8196,.0592,2.4986;-1.3199,2.0843,3.693;4.4182,1.3484,-.2775;-3.243,1.1137,2.9952;-6.1173,-3.7581,-.9382;-6.9115,-1.8063,-.0907;-.2444,1.7302,1.1627;2.3564,.3738,-.2889;-5.6861,-.3444,-2.0755;-6.0719,1.775,-1.787;4.876,-3.7766,.8244;-6.3085,.1102,-3.1861;-6.5159,1.3782,-3.0041;.4776,2.155,-.0333;1.7243,1.3827,.5084;.7589,.8912,1.6212;-1.6355,1.7885,1.3662;-2.4419,2.0329,.3062;-1.9767,2.184,-1.1296;-3.9255,2.1972,.4754;3.6818,.4317,-.6266;-2.1096,1.6405,2.8275;4.1677,-.7329,-1.4987;5.6237,-1.0819,-1.2635;6.0644,-1.7854,-.1224;6.5787,-.67,-2.2009;-5.5591,.688,-1.2123;5.1118,-2.2749,.9403;7.4319,-2.0439,.0507;7.9351,-.945,-2.0299;8.367,-1.6349,-.8973;-5.3432,-1.751,-1.9169;-6.2337,-2.513,-.8746;1.8023,-.4111,-.6035;5.7537,-4.2965,.9138;4.2438,-4.1086,1.5594;4.4638,-4.0321,-.0775;.5785,3.2394,-.1171;2.5026,2.0581,.8682;-1.9971,3.2386,-1.4286;-2.6701,1.6573,-1.7933;-4.3594,2.8333,-.2983;-4.177,2.5825,1.459;3.5114,-1.5998,-1.3749;4.043,-.4122,-2.5388;6.2499,-.1252,-3.0808;4.1262,-1.8161,.8955;5.5143,-2.1243,1.9426;7.7697,-2.5631,.9442;8.6509,-.6151,-2.7763;9.4208,-1.8453,-.7471;-5.4281,-2.2083,-2.9024;-4.2996,-1.8129,-1.5938;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1752714 0.0396840 0.0378706</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.317155" y3="1.48865" z3="-1.54527">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.840176" y3="0.571416" z3="0.387659">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.813137" y3="0.067237" z3="2.503054">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.325353" y3="2.096346" z3="3.689657">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.41735" y3="1.352496" z3="-0.271979">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.25109" y3="1.131832" z3="2.990966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.124462" y3="-3.756373" z3="-0.907953">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.915569" y3="-1.795725" z3="-0.078373">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.246981" y3="1.736591" z3="1.16206">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.356355" y3="0.376091" z3="-0.281801">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.681942" y3="-0.353059" z3="-2.072048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.063691" y3="1.769478" z3="-1.801887">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.879716" y3="-3.79769" z3="0.80028">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.299348" y3="0.094102" z3="-3.188556">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.504391" y3="1.363954" z3="-3.017371">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.477563" y3="2.158296" z3="-0.033446">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.722793" y3="1.386527" z3="0.512286">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.754876" y3="0.897751" z3="1.624059">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.638435" y3="1.796687" z3="1.362879">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.442693" y3="2.038484" z3="0.300664">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.974731" y3="2.184911" z3="-1.134816">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.92645" y3="2.205141" z3="0.466358">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.681558" y3="0.435054" z3="-0.620162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.115308" y3="1.653798" z3="2.823763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.167579" y3="-0.729293" z3="-1.492595">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.623841" y3="-1.077574" z3="-1.258259">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.063415" y3="-1.793344" z3="-0.124453">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.580087" y3="-0.652837" z3="-2.188658">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.555509" y3="0.685831" z3="-1.216689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.109448" y3="-2.29637" z3="0.930655">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.431022" y3="-2.051114" z3="0.04878">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.936588" y3="-0.926838" z3="-2.017578">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.367389" y3="-1.62905" z3="-0.892193">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.342861" y3="-1.759199" z3="-1.901145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.23774" y3="-2.510526" z3="-0.854844">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.802448" y3="-0.40867" z3="-0.596928">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.759608" y3="-4.314627" z3="0.885734">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.248212" y3="-4.13908" z3="1.531637">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.4696" y3="-4.046595" z3="-0.104512">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.579058" y3="3.242437" z3="-0.119774">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.500294" y3="2.062531" z3="0.872654">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.99467" y3="3.238626" z3="-1.437079">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.666944" y3="1.656252" z3="-1.798083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.358297" y3="2.837168" z3="-0.311912">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.179334" y3="2.596399" z3="1.447248">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.511937" y3="-1.596465" z3="-1.368217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.042036" y3="-0.408436" z3="-2.532599">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.252027" y3="-0.098811" z3="-3.063135">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.122419" y3="-1.840629" z3="0.887233">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.508419" y3="-2.153633" z3="1.935506">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.767815" y3="-2.580112" z3="0.936897">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.653438" y3="-0.586773" z3="-2.758425">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.421306" y3="-1.839119" z3="-0.742082">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.426281" y3="-2.224337" z3="-2.883103">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.300276" y3="-1.821021" z3="-1.574763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3172,1.4887,-1.5453;-4.8402,.5714,.3877;.8131,.0672,2.5031;-1.3254,2.0963,3.6897;4.4173,1.3525,-.272;-3.2511,1.1318,2.991;-6.1245,-3.7564,-.908;-6.9156,-1.7957,-.0784;-.247,1.7366,1.1621;2.3564,.3761,-.2818;-5.6819,-.3531,-2.072;-6.0637,1.7695,-1.8019;4.8797,-3.7977,.8003;-6.2993,.0941,-3.1886;-6.5044,1.364,-3.0174;.4776,2.1583,-.0334;1.7228,1.3865,.5123;.7549,.8978,1.6241;-1.6384,1.7967,1.3629;-2.4427,2.0385,.3007;-1.9747,2.1849,-1.1348;-3.9264,2.2051,.4664;3.6816,.4351,-.6202;-2.1153,1.6538,2.8238;4.1676,-.7293,-1.4926;5.6238,-1.0776,-1.2583;6.0634,-1.7933,-.1245;6.5801,-.6528,-2.1887;-5.5555,.6858,-1.2167;5.1094,-2.2964,.9307;7.431,-2.0511,.0488;7.9366,-.9268,-2.0176;8.3674,-1.6291,-.8922;-5.3429,-1.7592,-1.9011;-6.2377,-2.5105,-.8548;1.8024,-.4087,-.5969;5.7596,-4.3146,.8857;4.2482,-4.1391,1.5316;4.4696,-4.0466,-.1045;.5791,3.2424,-.1198;2.5003,2.0625,.8727;-1.9947,3.2386,-1.4371;-2.6669,1.6563,-1.7981;-4.3583,2.8372,-.3119;-4.1793,2.5964,1.4472;3.5119,-1.5965,-1.3682;4.042,-.4084,-2.5326;6.252,-.0988,-3.0631;4.1224,-1.8406,.8872;5.5084,-2.1536,1.9355;7.7678,-2.5801,.9369;8.6534,-.5868,-2.7584;9.4213,-1.8391,-.7421;-5.4263,-2.2243,-2.8831;-4.3003,-1.821,-1.5748;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1750725 0.0396843 0.0378694</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.31978" y3="1.485389" z3="-1.545625">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.83697" y3="0.56159" z3="0.388981">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.823436" y3="0.058713" z3="2.498374">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.316816" y3="2.082437" z3="3.692859">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.415901" y3="1.354422" z3="-0.29162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.239668" y3="1.110474" z3="2.996312">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.120204" y3="-3.756911" z3="-0.939336">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.911469" y3="-1.805134" z3="-0.089184">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.24264" y3="1.728036" z3="1.161947">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.358002" y3="0.371656" z3="-0.289709">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.688071" y3="-0.342864" z3="-2.07504">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.072807" y3="1.776387" z3="-1.784021">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.872894" y3="-3.774396" z3="0.824014">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.311194" y3="0.113013" z3="-3.184684">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518063" y3="1.380896" z3="-3.001126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.478502" y3="2.152551" z3="-0.034713">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.725936" y3="1.381347" z3="0.506702">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.761547" y3="0.890173" z3="1.620467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.633571" y3="1.786286" z3="1.366237">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.440605" y3="2.030529" z3="0.306676">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.976235" y3="2.18104" z3="-1.129522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.92394" y3="2.19552" z3="0.476806">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.681683" y3="0.433419" z3="-0.633614">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.106768" y3="1.638175" z3="2.827863">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.168685" y3="-0.733057" z3="-1.502547">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.624388" y3="-1.081489" z3="-1.264168">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.063081" y3="-1.784035" z3="-0.121667">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.581134" y3="-0.669774" z3="-2.19987">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.559839" y3="0.688575" z3="-1.210934">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.108786" y3="-2.272781" z3="0.939888">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.430334" y3="-2.04192" z3="0.054186">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.937228" y3="-0.944115" z3="-2.025978">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.367152" y3="-1.633183" z3="-0.892221">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.345959" y3="-1.749817" z3="-1.917875">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.235462" y3="-2.511801" z3="-0.874611">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.805269" y3="-0.416136" z3="-0.599233">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.750355" y3="-4.294489" z3="0.915011">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.239353" y3="-4.10642" z3="1.557856">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.462292" y3="-4.029887" z3="-0.078651">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.578782" y3="3.23697" z3="-0.119069">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.50403" y3="2.057614" z3="0.865231">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.996648" y3="3.23556" z3="-1.428931">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.670138" y3="1.654245" z3="-1.792518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.358032" y3="2.832404" z3="-0.296258">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.174914" y3="2.580046" z3="1.460825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.512412" y3="-1.599728" z3="-1.378153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.045891" y3="-0.414275" z3="-2.54349">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.253821" y3="-0.125622" z3="-3.080801">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.123376" y3="-1.813687" z3="0.893706">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.510031" y3="-2.121856" z3="1.942621">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.766576" y3="-2.560409" z3="0.948657">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.654389" y3="-0.614279" z3="-2.771132">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.420736" y3="-1.843266" z3="-0.739809">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.432598" y3="-2.206535" z3="-2.903505">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.301961" y3="-1.812809" z3="-1.596263">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3198,1.4854,-1.5456;-4.837,.5616,.389;.8234,.0587,2.4984;-1.3168,2.0824,3.6929;4.4159,1.3544,-.2916;-3.2397,1.1105,2.9963;-6.1202,-3.7569,-.9393;-6.9115,-1.8051,-.0892;-.2426,1.728,1.1619;2.358,.3717,-.2897;-5.6881,-.3429,-2.075;-6.0728,1.7764,-1.784;4.8729,-3.7744,.824;-6.3112,.113,-3.1847;-6.5181,1.3809,-3.0011;.4785,2.1526,-.0347;1.7259,1.3813,.5067;.7615,.8902,1.6205;-1.6336,1.7863,1.3662;-2.4406,2.0305,.3067;-1.9762,2.181,-1.1295;-3.9239,2.1955,.4768;3.6817,.4334,-.6336;-2.1068,1.6382,2.8279;4.1687,-.7331,-1.5025;5.6244,-1.0815,-1.2642;6.0631,-1.784,-.1217;6.5811,-.6698,-2.1999;-5.5598,.6886,-1.2109;5.1088,-2.2728,.9399;7.4303,-2.0419,.0542;7.9372,-.9441,-2.026;8.3672,-1.6332,-.8922;-5.346,-1.7498,-1.9179;-6.2355,-2.5118,-.8746;1.8053,-.4161,-.5992;5.7504,-4.2945,.915;4.2394,-4.1064,1.5579;4.4623,-4.0299,-.0787;.5788,3.237,-.1191;2.504,2.0576,.8652;-1.9966,3.2356,-1.4289;-2.6701,1.6542,-1.7925;-4.358,2.8324,-.2963;-4.1749,2.58,1.4608;3.5124,-1.5997,-1.3782;4.0459,-.4143,-2.5435;6.2538,-.1256,-3.0808;4.1234,-1.8137,.8937;5.51,-2.1219,1.9426;7.7666,-2.5604,.9487;8.6544,-.6143,-2.7711;9.4207,-1.8433,-.7398;-5.4326,-2.2065,-2.9035;-4.302,-1.8128,-1.5963;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1753997 0.0396808 0.0378746</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.310751" y3="1.474592" z3="-1.54769">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.844621" y3="0.586747" z3="0.384295">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.809183" y3="0.082431" z3="2.512651">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.328352" y3="2.114433" z3="3.680678">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.406538" y3="1.377261" z3="-0.307092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.259079" y3="1.159869" z3="2.982568">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.164778" y3="-3.742953" z3="-0.849023">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.929494" y3="-1.761201" z3="-0.045307">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.247459" y3="1.742533" z3="1.157355">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.360237" y3="0.371295" z3="-0.267929">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.685905" y3="-0.363281" z3="-2.065394">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.049902" y3="1.766137" z3="-1.825475">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.891758" y3="-3.840058" z3="0.749201">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.294907" y3="0.073978" z3="-3.190215">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.489879" y3="1.34774" z3="-3.03697">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.480168" y3="2.155717" z3="-0.039026">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.724252" y3="1.388226" z3="0.515944">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.753152" y3="0.907174" z3="1.628075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.639117" y3="1.807033" z3="1.354458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.440026" y3="2.043137" z3="0.288266">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.968324" y3="2.176611" z3="-1.147341">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.923517" y3="2.216972" z3="0.448788">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.679327" y3="0.443241" z3="-0.627517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.119744" y3="1.673977" z3="2.815126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.169236" y3="-0.729808" z3="-1.486502">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.626156" y3="-1.070506" z3="-1.24641">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.062571" y3="-1.806566" z3="-0.124576">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.586526" y3="-0.614629" z3="-2.157791">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.553076" y3="0.686302" z3="-1.223925">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.105543" y3="-2.340072" z3="0.912689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.431274" y3="-2.054779" z3="0.055059">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.944056" y3="-0.878394" z3="-1.980192">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.371734" y3="-1.602237" z3="-0.867246">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.361332" y3="-1.770049" z3="-1.872631">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.262749" y3="-2.495246" z3="-0.813369">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.811789" y3="-0.424846" z3="-0.563287">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.7760" y3="-4.350009" z3="0.831739">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.257956" y3="-4.203483" z3="1.467716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.492016" y3="-4.073573" z3="-0.164146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.581489" y3="3.239262" z3="-0.13298">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.50033" y3="2.067763" z3="0.872569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.986455" y3="3.227685" z3="-1.45877">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.659872" y3="1.643092" z3="-1.807441">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.350893" y3="2.843597" z3="-0.336294">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.177264" y3="2.617964" z3="1.425498">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.516233" y3="-1.5969" z3="-1.353158">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.04396" y3="-0.419813" z3="-2.529814">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.260446" y3="-0.044725" z3="-3.022724">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.115018" y3="-1.89194" z3="0.871903">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.496566" y3="-2.214097" z3="1.922815">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.765154" y3="-2.600928" z3="0.933859">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.664172" y3="-0.514146" z3="-2.706225">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.426262" y3="-1.805708" z3="-0.712399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.450823" y3="-2.250028" z3="-2.846887">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.319134" y3="-1.838002" z3="-1.546166">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3108,1.4746,-1.5477;-4.8446,.5867,.3843;.8092,.0824,2.5127;-1.3284,2.1144,3.6807;4.4065,1.3773,-.3071;-3.2591,1.1599,2.9826;-6.1648,-3.743,-.849;-6.9295,-1.7612,-.0453;-.2475,1.7425,1.1574;2.3602,.3713,-.2679;-5.6859,-.3633,-2.0654;-6.0499,1.7661,-1.8255;4.8918,-3.8401,.7492;-6.2949,.074,-3.1902;-6.4899,1.3477,-3.037;.4802,2.1557,-.039;1.7243,1.3882,.5159;.7532,.9072,1.6281;-1.6391,1.807,1.3545;-2.44,2.0431,.2883;-1.9683,2.1766,-1.1473;-3.9235,2.217,.4488;3.6793,.4432,-.6275;-2.1197,1.674,2.8151;4.1692,-.7298,-1.4865;5.6262,-1.0705,-1.2464;6.0626,-1.8066,-.1246;6.5865,-.6146,-2.1578;-5.5531,.6863,-1.2239;5.1055,-2.3401,.9127;7.4313,-2.0548,.0551;7.9441,-.8784,-1.9802;8.3717,-1.6022,-.8672;-5.3613,-1.77,-1.8726;-6.2627,-2.4952,-.8134;1.8118,-.4248,-.5633;5.776,-4.35,.8317;4.258,-4.2035,1.4677;4.492,-4.0736,-.1641;.5815,3.2393,-.133;2.5003,2.0678,.8726;-1.9865,3.2277,-1.4588;-2.6599,1.6431,-1.8074;-4.3509,2.8436,-.3363;-4.1773,2.618,1.4255;3.5162,-1.5969,-1.3532;4.044,-.4198,-2.5298;6.2604,-.0447,-3.0227;4.115,-1.8919,.8719;5.4966,-2.2141,1.9228;7.7652,-2.6009,.9339;8.6642,-.5141,-2.7062;9.4263,-1.8057,-.7124;-5.4508,-2.25,-2.8469;-4.3191,-1.838,-1.5462;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1751997 0.0396245 0.0378399</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.323241" y3="1.483255" z3="-1.545057">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.832359" y3="0.548178" z3="0.389845">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.834832" y3="0.04983" z3="2.494027">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.308448" y3="2.067501" z3="3.697646">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.41605" y3="1.351446" z3="-0.306127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.226076" y3="1.083593" z3="3.003112">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.109038" y3="-3.759177" z3="-0.984869">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.903914" y3="-1.8213" z3="-0.106719">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.238027" y3="1.719099" z3="1.162928">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.358821" y3="0.367451" z3="-0.298652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.695095" y3="-0.329768" z3="-2.079928">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.086211" y3="1.784162" z3="-1.760365">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866105" y3="-3.743555" z3="0.857663">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.326575" y3="0.137238" z3="-3.180054">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.5372" y3="1.401991" z3="-2.979574">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.479212" y3="2.147028" z3="-0.035006">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.729058" y3="1.376111" z3="0.501072">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.768804" y3="0.882247" z3="1.617267">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.628381" y3="1.774605" z3="1.371157">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.438734" y3="2.02155" z3="0.31476">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.9785" y3="2.177693" z3="-1.122119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.921747" y3="2.183101" z3="0.490038">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.68181" y3="0.429371" z3="-0.6452">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.097393" y3="1.61979" z3="2.83352">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.168649" y3="-0.738646" z3="-1.511962">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.624031" y3="-1.087728" z3="-1.271555">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.063874" y3="-1.772642" z3="-0.118698">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.579438" y3="-0.694213" z3="-2.216382">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.565632" y3="0.691399" z3="-1.203868">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.111044" y3="-2.241783" z3="0.953025">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.430907" y3="-2.031306" z3="0.057652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.935249" y3="-0.969692" z3="-2.041789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.366313" y3="-1.641039" z3="-0.897953">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.347055" y3="-1.737198" z3="-1.941923">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.228815" y3="-2.515431" z3="-0.903997">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.806399" y3="-0.422087" z3="-0.604225">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.740173" y3="-4.268118" z3="0.955209">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.230713" y3="-4.062113" z3="1.595813">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.45339" y3="-4.008304" z3="-0.041319">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.578301" y3="3.231758" z3="-0.116799">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.508154" y3="2.05224" z3="0.857643">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.99956" y3="3.233297" z3="-1.417643">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.674196" y3="1.653307" z3="-1.785155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.358955" y3="2.825854" z3="-0.276392">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.170882" y3="2.558716" z3="1.477941">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.5116" y3="-1.604798" z3="-1.387448">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.047425" y3="-0.421359" z3="-2.553524">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.251371" y3="-0.163265" z3="-3.105059">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.127839" y3="-1.778053" z3="0.904481">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.516975" y3="-2.079845" z3="1.952139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.768273" y3="-2.535624" z3="0.959727">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.65124" y3="-0.65415" z3="-2.794218">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.419709" y3="-1.851532" z3="-0.744822">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.43681" y3="-2.181993" z3="-2.932721">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.301265" y3="-1.800303" z3="-1.626205">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3232,1.4833,-1.5451;-4.8324,.5482,.3898;.8348,.0498,2.494;-1.3084,2.0675,3.6976;4.4161,1.3514,-.3061;-3.2261,1.0836,3.0031;-6.109,-3.7592,-.9849;-6.9039,-1.8213,-.1067;-.238,1.7191,1.1629;2.3588,.3675,-.2987;-5.6951,-.3298,-2.0799;-6.0862,1.7842,-1.7604;4.8661,-3.7436,.8577;-6.3266,.1372,-3.1801;-6.5372,1.402,-2.9796;.4792,2.147,-.035;1.7291,1.3761,.5011;.7688,.8822,1.6173;-1.6284,1.7746,1.3712;-2.4387,2.0215,.3148;-1.9785,2.1777,-1.1221;-3.9217,2.1831,.49;3.6818,.4294,-.6452;-2.0974,1.6198,2.8335;4.1686,-.7386,-1.512;5.624,-1.0877,-1.2716;6.0639,-1.7726,-.1187;6.5794,-.6942,-2.2164;-5.5656,.6914,-1.2039;5.111,-2.2418,.953;7.4309,-2.0313,.0577;7.9352,-.9697,-2.0418;8.3663,-1.641,-.898;-5.3471,-1.7372,-1.9419;-6.2288,-2.5154,-.904;1.8064,-.4221,-.6042;5.7402,-4.2681,.9552;4.2307,-4.0621,1.5958;4.4534,-4.0083,-.0413;.5783,3.2318,-.1168;2.5082,2.0522,.8576;-1.9996,3.2333,-1.4176;-2.6742,1.6533,-1.7852;-4.359,2.8259,-.2764;-4.1709,2.5587,1.4779;3.5116,-1.6048,-1.3874;4.0474,-.4214,-2.5535;6.2514,-.1633,-3.1051;4.1278,-1.7781,.9045;5.517,-2.0798,1.9521;7.7683,-2.5356,.9597;8.6512,-.6542,-2.7942;9.4197,-1.8515,-.7448;-5.4368,-2.182,-2.9327;-4.3013,-1.8003,-1.6262;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1756839 0.0396843 0.0378760</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.321124" y3="1.48452" z3="-1.545193">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.834633" y3="0.555599" z3="0.388965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.828276" y3="0.056273" z3="2.497361">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.314204" y3="2.078066" z3="3.694921">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.415166" y3="1.353213" z3="-0.299311">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.234102" y3="1.099745" z3="2.998918">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.114049" y3="-3.758248" z3="-0.960856">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.905811" y3="-1.813169" z3="-0.095943">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.240645" y3="1.725147" z3="1.162598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.357838" y3="0.369589" z3="-0.292815">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.691582" y3="-0.33679" z3="-2.077602">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.079444" y3="1.780027" z3="-1.77328">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.871397" y3="-3.762549" z3="0.83908">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.318835" y3="0.124227" z3="-3.182714">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.527581" y3="1.390664" z3="-2.991269">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.478885" y3="2.150614" z3="-0.034779">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.727245" y3="1.379538" z3="0.504553">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.764655" y3="0.887927" z3="1.619729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.6314" y3="1.782072" z3="1.368337">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.439778" y3="2.027053" z3="0.309986">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.977075" y3="2.179793" z3="-1.126466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.923041" y3="2.190183" z3="0.482182">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.681043" y3="0.431106" z3="-0.638478">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.103157" y3="1.631501" z3="2.830213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.167725" y3="-0.737059" z3="-1.505312">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.623589" y3="-1.084822" z3="-1.266755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.063814" y3="-1.779992" z3="-0.120288">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.579027" y3="-0.679727" z3="-2.206666">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.562745" y3="0.689928" z3="-1.207942">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.111122" y3="-2.26085" z3="0.946331">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.431241" y3="-2.037547" z3="0.054797">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.935273" y3="-0.953723" z3="-2.033346">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.366706" y3="-1.635652" z3="-0.895882">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.34639" y3="-1.743946" z3="-1.929529">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.231282" y3="-2.513767" z3="-0.888054">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.80527" y3="-0.419662" z3="-0.59888">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.747483" y3="-4.284559" z3="0.932252">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.237533" y3="-4.089113" z3="1.575054">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.459387" y3="-4.021789" z3="-0.06184">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.578791" y3="3.235124" z3="-0.118384">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.505999" y3="2.05575" z3="0.861758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.997737" y3="3.23473" z3="-1.424392">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.671696" y3="1.653933" z3="-1.789462">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.358621" y3="2.829372" z3="-0.288132">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.173479" y3="2.570982" z3="1.467779">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.511495" y3="-1.603499" z3="-1.379112">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.044631" y3="-0.420449" z3="-2.54688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.250553" y3="-0.141057" z3="-3.09053">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.12661" y3="-1.799765" z3="0.900111">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.515237" y3="-2.105291" z3="1.947194">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.768774" y3="-2.550302" z3="0.952056">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.651326" y3="-0.629108" z3="-2.78185">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.420409" y3="-1.845421" z3="-0.743873">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.435169" y3="-2.195184" z3="-2.917495">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.30127" y3="-1.806846" z3="-1.611526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3211,1.4845,-1.5452;-4.8346,.5556,.389;.8283,.0563,2.4974;-1.3142,2.0781,3.6949;4.4152,1.3532,-.2993;-3.2341,1.0997,2.9989;-6.114,-3.7582,-.9609;-6.9058,-1.8132,-.0959;-.2406,1.7251,1.1626;2.3578,.3696,-.2928;-5.6916,-.3368,-2.0776;-6.0794,1.78,-1.7733;4.8714,-3.7625,.8391;-6.3188,.1242,-3.1827;-6.5276,1.3907,-2.9913;.4789,2.1506,-.0348;1.7272,1.3795,.5046;.7647,.8879,1.6197;-1.6314,1.7821,1.3683;-2.4398,2.0271,.31;-1.9771,2.1798,-1.1265;-3.923,2.1902,.4822;3.681,.4311,-.6385;-2.1032,1.6315,2.8302;4.1677,-.7371,-1.5053;5.6236,-1.0848,-1.2668;6.0638,-1.78,-.1203;6.579,-.6797,-2.2067;-5.5627,.6899,-1.2079;5.1111,-2.2609,.9463;7.4312,-2.0375,.0548;7.9353,-.9537,-2.0333;8.3667,-1.6357,-.8959;-5.3464,-1.7439,-1.9295;-6.2313,-2.5138,-.8881;1.8053,-.4197,-.5989;5.7475,-4.2846,.9323;4.2375,-4.0891,1.5751;4.4594,-4.0218,-.0618;.5788,3.2351,-.1184;2.506,2.0558,.8618;-1.9977,3.2347,-1.4244;-2.6717,1.6539,-1.7895;-4.3586,2.8294,-.2881;-4.1735,2.571,1.4678;3.5115,-1.6035,-1.3791;4.0446,-.4204,-2.5469;6.2506,-.1411,-3.0905;4.1266,-1.7998,.9001;5.5152,-2.1053,1.9472;7.7688,-2.5503,.9521;8.6513,-.6291,-2.7818;9.4204,-1.8454,-.7439;-5.4352,-2.1952,-2.9175;-4.3013,-1.8068,-1.6115;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1754779 0.0396837 0.0378745</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.318231" y3="1.481186" z3="-1.54774">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.831028" y3="0.559412" z3="0.391111">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.83074" y3="0.072225" z3="2.50192">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.314282" y3="2.098129" z3="3.689941">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.412866" y3="1.367264" z3="-0.316486">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.234173" y3="1.118457" z3="2.995867">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.110803" y3="-3.762804" z3="-0.935975">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.900591" y3="-1.814347" z3="-0.077102">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.238517" y3="1.734189" z3="1.158963">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.361296" y3="0.372343" z3="-0.28842">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.692798" y3="-0.345812" z3="-2.069327">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.078842" y3="1.772799" z3="-1.775922">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.86391" y3="-3.785026" z3="0.807282">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.322021" y3="0.109789" z3="-3.175879">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.529521" y3="1.377254" z3="-2.991002">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.481204" y3="2.154286" z3="-0.040244">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.729686" y3="1.386189" z3="0.503174">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.766974" y3="0.899593" z3="1.620293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.629419" y3="1.792063" z3="1.36412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.437436" y3="2.032239" z3="0.304417">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.974241" y3="2.178513" z3="-1.13259">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.921116" y3="2.195143" z3="0.475014">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.681667" y3="0.438475" z3="-0.643577">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.102418" y3="1.64822" z3="2.826208">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.169716" y3="-0.732472" z3="-1.505769">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.624778" y3="-1.079566" z3="-1.260646">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.05802" y3="-1.788545" z3="-0.120203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.586286" y3="-0.659475" z3="-2.187819">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.562111" y3="0.685368" z3="-1.205285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.098659" y3="-2.284295" z3="0.933523">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.424581" y3="-2.046531" z3="0.061179">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.941747" y3="-0.932809" z3="-2.007977">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.366164" y3="-1.629835" z3="-0.876937">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.346971" y3="-1.752296" z3="-1.915756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.228349" y3="-2.518039" z3="-0.868475">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.809922" y3="-0.420146" z3="-0.588178">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741928" y3="-4.304677" z3="0.896208">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.229211" y3="-4.122338" z3="1.537736">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.455181" y3="-4.034534" z3="-0.097925">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.580867" y3="3.238415" z3="-0.12883">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.507459" y3="2.065119" z3="0.857527">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.994674" y3="3.232132" z3="-1.435174">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.668741" y3="1.649841" z3="-1.793455">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.356623" y3="2.829138" z3="-0.299552">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.172143" y3="2.582402" z3="1.457974">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.512756" y3="-1.598415" z3="-1.379941">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.050846" y3="-0.418006" z3="-2.548461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.263096" y3="-0.11006" z3="-3.06699">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.113514" y3="-1.824871" z3="0.885128">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.494876" y3="-2.139393" z3="1.939205">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.756476" y3="-2.571412" z3="0.953466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.662668" y3="-0.596562" z3="-2.74661">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.419131" y3="-1.83984" z3="-0.720223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.438755" y3="-2.207736" z3="-2.901513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.300769" y3="-1.813555" z3="-1.600935">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3182,1.4812,-1.5477;-4.831,.5594,.3911;.8307,.0722,2.5019;-1.3143,2.0981,3.6899;4.4129,1.3673,-.3165;-3.2342,1.1185,2.9959;-6.1108,-3.7628,-.936;-6.9006,-1.8143,-.0771;-.2385,1.7342,1.159;2.3613,.3723,-.2884;-5.6928,-.3458,-2.0693;-6.0788,1.7728,-1.7759;4.8639,-3.785,.8073;-6.322,.1098,-3.1759;-6.5295,1.3773,-2.991;.4812,2.1543,-.0402;1.7297,1.3862,.5032;.767,.8996,1.6203;-1.6294,1.7921,1.3641;-2.4374,2.0322,.3044;-1.9742,2.1785,-1.1326;-3.9211,2.1951,.475;3.6817,.4385,-.6436;-2.1024,1.6482,2.8262;4.1697,-.7325,-1.5058;5.6248,-1.0796,-1.2606;6.058,-1.7885,-.1202;6.5863,-.6595,-2.1878;-5.5621,.6854,-1.2053;5.0987,-2.2843,.9335;7.4246,-2.0465,.0612;7.9417,-.9328,-2.008;8.3662,-1.6298,-.8769;-5.347,-1.7523,-1.9158;-6.2283,-2.518,-.8685;1.8099,-.4201,-.5882;5.7419,-4.3047,.8962;4.2292,-4.1223,1.5377;4.4552,-4.0345,-.0979;.5809,3.2384,-.1288;2.5075,2.0651,.8575;-1.9947,3.2321,-1.4352;-2.6687,1.6498,-1.7935;-4.3566,2.8291,-.2996;-4.1721,2.5824,1.458;3.5128,-1.5984,-1.3799;4.0508,-.418,-2.5485;6.2631,-.1101,-3.067;4.1135,-1.8249,.8851;5.4949,-2.1394,1.9392;7.7565,-2.5714,.9535;8.6627,-.5966,-2.7466;9.4191,-1.8398,-.7202;-5.4388,-2.2077,-2.9015;-4.3008,-1.8136,-1.6009;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1752786 0.0397010 0.0378840</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.321886" y3="1.483434" z3="-1.54512">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.833796" y3="0.553129" z3="0.389332">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.830617" y3="0.054491" z3="2.496656">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.312015" y3="2.074786" z3="3.69578">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.415211" y3="1.352805" z3="-0.303049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.231139" y3="1.094387" z3="3.000503">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.112505" y3="-3.758458" z3="-0.969525">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.905587" y3="-1.815965" z3="-0.099999">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.239667" y3="1.72307" z3="1.162652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.358209" y3="0.368388" z3="-0.294488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.693005" y3="-0.334083" z3="-2.078356">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.081987" y3="1.781709" z3="-1.768522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.870103" y3="-3.756509" z3="0.845324">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.321869" y3="0.129104" z3="-3.181636">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.531258" y3="1.394941" z3="-2.986919">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.47906" y3="2.149057" z3="-0.035043">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.727942" y3="1.378165" z3="0.50337">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.76617" y3="0.886119" z3="1.619048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.630254" y3="1.779644" z3="1.369287">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.43932" y3="2.025197" z3="0.311577">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.977482" y3="2.17878" z3="-1.125069">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.922485" y3="2.187804" z3="0.484873">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.681116" y3="0.430292" z3="-0.641236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.101011" y3="1.627737" z3="2.831361">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.167795" y3="-0.738139" z3="-1.507624">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.623587" y3="-1.086057" z3="-1.268377">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.063858" y3="-1.777428" z3="-0.119602">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.578946" y3="-0.684668" z3="-2.209959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.563879" y3="0.690633" z3="-1.206394">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.111174" y3="-2.254701" z3="0.948623">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.431234" y3="-2.034779" z3="0.056105">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.935131" y3="-0.958619" z3="-2.036039">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.366606" y3="-1.636581" z3="-0.896232">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.346825" y3="-1.741357" z3="-1.933951">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.230703" y3="-2.514232" z3="-0.89386">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.805763" y3="-0.421258" z3="-0.599742">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.745611" y3="-4.279148" z3="0.940347">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.235482" y3="-4.080432" z3="1.581815">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.458289" y3="-4.017833" z3="-0.055087">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.578729" y3="3.233619" z3="-0.118289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.506829" y3="2.054458" z3="0.860113">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.998131" y3="3.233881" z3="-1.422406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.672562" y3="1.653382" z3="-1.787951">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.358664" y3="2.828242" z3="-0.284068">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.172402" y3="2.566819" z3="1.471285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.511304" y3="-1.604458" z3="-1.381686">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.045267" y3="-0.421665" z3="-2.549293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.250491" y3="-0.148846" z3="-3.09556">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.126978" y3="-1.792998" z3="0.901533">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.515754" y3="-2.097021" z3="1.948967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.768817" y3="-2.544411" z3="0.95511">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.65111" y3="-0.636937" z3="-2.785876">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.42028" y3="-1.846125" z3="-0.743712">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.435885" y3="-2.190208" z3="-2.922978">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.301497" y3="-1.804367" z3="-1.616673">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3219,1.4834,-1.5451;-4.8338,.5531,.3893;.8306,.0545,2.4967;-1.312,2.0748,3.6958;4.4152,1.3528,-.303;-3.2311,1.0944,3.0005;-6.1125,-3.7585,-.9695;-6.9056,-1.816,-.1;-.2397,1.7231,1.1627;2.3582,.3684,-.2945;-5.693,-.3341,-2.0784;-6.082,1.7817,-1.7685;4.8701,-3.7565,.8453;-6.3219,.1291,-3.1816;-6.5313,1.3949,-2.9869;.4791,2.1491,-.035;1.7279,1.3782,.5034;.7662,.8861,1.619;-1.6303,1.7796,1.3693;-2.4393,2.0252,.3116;-1.9775,2.1788,-1.1251;-3.9225,2.1878,.4849;3.6811,.4303,-.6412;-2.101,1.6277,2.8314;4.1678,-.7381,-1.5076;5.6236,-1.0861,-1.2684;6.0639,-1.7774,-.1196;6.5789,-.6847,-2.21;-5.5639,.6906,-1.2064;5.1112,-2.2547,.9486;7.4312,-2.0348,.0561;7.9351,-.9586,-2.036;8.3666,-1.6366,-.8962;-5.3468,-1.7414,-1.934;-6.2307,-2.5142,-.8939;1.8058,-.4213,-.5997;5.7456,-4.2791,.9403;4.2355,-4.0804,1.5818;4.4583,-4.0178,-.0551;.5787,3.2336,-.1183;2.5068,2.0545,.8601;-1.9981,3.2339,-1.4224;-2.6726,1.6534,-1.788;-4.3587,2.8282,-.2841;-4.1724,2.5668,1.4713;3.5113,-1.6045,-1.3817;4.0453,-.4217,-2.5493;6.2505,-.1488,-3.0956;4.127,-1.793,.9015;5.5158,-2.097,1.949;7.7688,-2.5444,.9551;8.6511,-.6369,-2.7859;9.4203,-1.8461,-.7437;-5.4359,-2.1902,-2.923;-4.3015,-1.8044,-1.6167;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1755531 0.0396832 0.0378741</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.318865" y3="1.482342" z3="-1.545677">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.83554" y3="0.56113" z3="0.388562">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.825623" y3="0.06361" z3="2.501306">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.316479" y3="2.08729" z3="3.692057">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.413491" y3="1.359069" z3="-0.303429">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.23791" y3="1.112007" z3="2.996137">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.12161" y3="-3.75682" z3="-0.939546">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.909603" y3="-1.805202" z3="-0.08603">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.241377" y3="1.729612" z3="1.16149">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.358659" y3="0.370234" z3="-0.287621">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.690225" y3="-0.342479" z3="-2.074656">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.074094" y3="1.776752" z3="-1.78236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.873504" y3="-3.778795" z3="0.820003">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.314651" y3="0.113939" z3="-3.183317">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.521046" y3="1.381795" z3="-2.999014">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.479542" y3="2.152111" z3="-0.036041">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.727226" y3="1.382119" z3="0.506587">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.763227" y3="0.893248" z3="1.621692">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.632287" y3="1.787862" z3="1.36568">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.439373" y3="2.030591" z3="0.305782">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.975067" y3="2.179173" z3="-1.130621">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.922738" y3="2.195265" z3="0.475871">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.680668" y3="0.434052" z3="-0.637415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.105652" y3="1.641016" z3="2.827401">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.167709" y3="-0.735442" z3="-1.502306">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.623693" y3="-1.082015" z3="-1.26283">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.06251" y3="-1.785448" z3="-0.120943">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.580687" y3="-0.666571" z3="-2.196671">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.560652" y3="0.688627" z3="-1.2103">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.108222" y3="-2.277302" z3="0.939189">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.430111" y3="-2.041056" z3="0.055811">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.93712" y3="-0.938427" z3="-2.021758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.367153" y3="-1.628799" z3="-0.888815">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.348299" y3="-1.749573" z3="-1.918455">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.235972" y3="-2.511683" z3="-0.87368">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.806833" y3="-0.420674" z3="-0.590707">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.751153" y3="-4.298507" z3="0.91143">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.239022" y3="-4.112805" z3="1.552106">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.464541" y3="-4.03274" z3="-0.083819">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.579674" y3="3.236402" z3="-0.122197">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.505522" y3="2.059254" z3="0.86304">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.995216" y3="3.233271" z3="-1.431531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.669154" y3="1.65163" z3="-1.79284">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.357093" y3="2.831784" z3="-0.297332">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.1738" y3="2.58006" z3="1.45976">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.511775" y3="-1.601823" z3="-1.374866">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.0447" y3="-0.420217" z3="-2.544303">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.253215" y3="-0.121546" z3="-3.076997">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.122575" y3="-1.818644" z3="0.893692">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.50912" y3="-2.128225" z3="1.942328">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.766364" y3="-2.560626" z3="0.949622">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.654447" y3="-0.605769" z3="-2.765496">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.420968" y3="-1.83718" z3="-0.73567">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.437028" y3="-2.206037" z3="-2.904018">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.303674" y3="-1.813047" z3="-1.598942">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3189,1.4823,-1.5457;-4.8355,.5611,.3886;.8256,.0636,2.5013;-1.3165,2.0873,3.6921;4.4135,1.3591,-.3034;-3.2379,1.112,2.9961;-6.1216,-3.7568,-.9395;-6.9096,-1.8052,-.086;-.2414,1.7296,1.1615;2.3587,.3702,-.2876;-5.6902,-.3425,-2.0747;-6.0741,1.7768,-1.7824;4.8735,-3.7788,.82;-6.3147,.1139,-3.1833;-6.521,1.3818,-2.999;.4795,2.1521,-.036;1.7272,1.3821,.5066;.7632,.8932,1.6217;-1.6323,1.7879,1.3657;-2.4394,2.0306,.3058;-1.9751,2.1792,-1.1306;-3.9227,2.1953,.4759;3.6807,.4341,-.6374;-2.1057,1.641,2.8274;4.1677,-.7354,-1.5023;5.6237,-1.082,-1.2628;6.0625,-1.7854,-.1209;6.5807,-.6666,-2.1967;-5.5607,.6886,-1.2103;5.1082,-2.2773,.9392;7.4301,-2.0411,.0558;7.9371,-.9384,-2.0218;8.3672,-1.6288,-.8888;-5.3483,-1.7496,-1.9185;-6.236,-2.5117,-.8737;1.8068,-.4207,-.5907;5.7512,-4.2985,.9114;4.239,-4.1128,1.5521;4.4645,-4.0327,-.0838;.5797,3.2364,-.1222;2.5055,2.0593,.863;-1.9952,3.2333,-1.4315;-2.6692,1.6516,-1.7928;-4.3571,2.8318,-.2973;-4.1738,2.5801,1.4598;3.5118,-1.6018,-1.3749;4.0447,-.4202,-2.5443;6.2532,-.1215,-3.077;4.1226,-1.8186,.8937;5.5091,-2.1282,1.9423;7.7664,-2.5606,.9496;8.6544,-.6058,-2.7655;9.421,-1.8372,-.7357;-5.437,-2.206,-2.904;-4.3037,-1.813,-1.5989;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1753786 0.0396799 0.0378726</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.23227" y3="1.460361" z3="-1.519015">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.838422" y3="0.522735" z3="0.38728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.806039" y3="0.112585" z3="2.591344">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.362834" y3="2.207093" z3="3.668515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.41532" y3="1.27923" z3="-0.329771">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.274183" y3="1.207296" z3="2.964007">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.266328" y3="-3.743408" z3="-1.088841">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.998789" y3="-1.818076" z3="-0.117274">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.207739" y3="1.757636" z3="1.193961">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.359244" y3="0.327882" z3="-0.225053">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.777506" y3="-0.28823" z3="-2.11365">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.078474" y3="1.829051" z3="-1.738239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="5.081737" y3="-3.881197" z3="0.94222">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.416259" y3="0.22901" z3="-3.184003">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.580302" y3="1.494033" z3="-2.950693">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.532242" y3="2.155024" z3="0.002908">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.765315" y3="1.371785" z3="0.566625">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.783578" y3="0.933641" z3="1.696041">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.598069" y3="1.819821" z3="1.35601">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.384117" y3="2.022973" z3="0.263386">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.896947" y3="2.160667" z3="-1.168484">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.877275" y3="2.127327" z3="0.44501">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.659282" y3="0.35672" z3="-0.619502">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.126712" y3="1.725052" z3="2.800367">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.09027" y3="-0.837565" z3="-1.469516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.564817" y3="-1.138576" z3="-1.262105">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.083554" y3="-1.808389" z3="-0.136285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.472616" y3="-0.648995" z3="-2.217091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.59907" y3="0.704281" z3="-1.20726">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.208765" y3="-2.36411" z3="0.953953">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.466843" y3="-1.964244" z3="0.00985">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.846887" y3="-0.823902" z3="-2.076761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.351081" y3="-1.484288" z3="-0.955038">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.482407" y3="-1.70906" z3="-2.012803">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.374531" y3="-2.495404" z3="-0.97535">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.778092" y3="-0.455138" z3="-0.488031">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="6.005044" y3="-4.319278" z3="1.067128">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.477191" y3="-4.191163" z3="1.711231">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.686675" y3="-4.269702" z3="0.082139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.643158" y3="3.234517" z3="-0.100255">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.556947" y3="2.038357" z3="0.917597">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.928866" y3="3.202154" z3="-1.503338">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.566663" y3="1.606383" z3="-1.833348">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.366192" y3="2.744114" z3="-0.305047">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.116763" y3="2.503768" z3="1.435033">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.413102" y3="-1.679349" z3="-1.298037">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="3.930843" y3="-0.548296" z3="-2.516846">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.086963" y3="-0.117263" z3="-3.0816">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.195399" y3="-1.980508" z3="0.907415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.627277" y3="-2.166065" z3="1.940645">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.855647" y3="-2.458196" z3="0.890435">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.521601" y3="-0.440614" z3="-2.834703">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.420797" y3="-1.616456" z3="-0.828551">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.607362" y3="-2.124707" z3="-3.011929">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.4366" y3="-1.824527" z3="-1.715343">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2323,1.4604,-1.519;-4.8384,.5227,.3873;.806,.1126,2.5913;-1.3628,2.2071,3.6685;4.4153,1.2792,-.3298;-3.2742,1.2073,2.964;-6.2663,-3.7434,-1.0888;-6.9988,-1.8181,-.1173;-.2077,1.7576,1.194;2.3592,.3279,-.2251;-5.7775,-.2882,-2.1136;-6.0785,1.8291,-1.7382;5.0817,-3.8812,.9422;-6.4163,.229,-3.184;-6.5803,1.494,-2.9507;.5322,2.155,.0029;1.7653,1.3718,.5666;.7836,.9336,1.696;-1.5981,1.8198,1.356;-2.3841,2.023,.2634;-1.8969,2.1607,-1.1685;-3.8773,2.1273,.445;3.6593,.3567,-.6195;-2.1267,1.7251,2.8004;4.0903,-.8376,-1.4695;5.5648,-1.1386,-1.2621;6.0836,-1.8084,-.1363;6.4726,-.649,-2.2171;-5.5991,.7043,-1.2073;5.2088,-2.3641,.954;7.4668,-1.9642,.0098;7.8469,-.8239,-2.0768;8.3511,-1.4843,-.955;-5.4824,-1.7091,-2.0128;-6.3745,-2.4954,-.9754;1.7781,-.4551,-.488;6.005,-4.3193,1.0671;4.4772,-4.1912,1.7112;4.6867,-4.2697,.0821;.6432,3.2345,-.1003;2.5569,2.0384,.9176;-1.9289,3.2022,-1.5033;-2.5667,1.6064,-1.8333;-4.3662,2.7441,-.305;-4.1168,2.5038,1.435;3.4131,-1.6793,-1.298;3.9308,-.5483,-2.5168;6.087,-.1173,-3.0816;4.1954,-1.9805,.9074;5.6273,-2.1661,1.9406;7.8556,-2.4582,.8904;8.5216,-.4406,-2.8347;9.4208,-1.6165,-.8286;-5.6074,-2.1247,-3.0119;-4.4366,-1.8245,-1.7153;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1734997 0.0392705 0.0373968</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.380092" y3="1.544168" z3="-1.429907">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.753456" y3="0.598268" z3="0.399691">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.779057" y3="0.228131" z3="2.633767">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.474154" y3="2.366582" z3="3.81421">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.295105" y3="1.354656" z3="-0.313527">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.365955" y3="1.443424" z3="2.996013">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-5.341969" y3="-3.899958" z3="-1.025232">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.442908" y3="-2.095529" z3="-0.243192">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.285191" y3="1.883789" z3="1.266327">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.223048" y3="0.384031" z3="-0.158242">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.28205" y3="-0.424604" z3="-2.090882">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-5.950531" y3="1.63583" z3="-1.871778">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.768931" y3="-3.867988" z3="0.741276">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-5.870752" y3="-0.055753" z3="-3.256545">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.255884" y3="1.175039" z3="-3.103176">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.442367" y3="2.23694" z3="0.049676">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.664287" y3="1.447041" z3="0.601756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.70389" y3="1.036617" z3="1.746303">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.688061" y3="1.982301" z3="1.463142">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.48961" y3="2.185956" z3="0.405051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-2.022388" y3="2.282644" z3="-1.023651">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.986106" y3="2.311604" z3="0.516622">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.538605" y3="0.425833" z3="-0.571697">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.211198" y3="1.916509" z3="2.913298">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="3.971781" y3="-0.767699" z3="-1.440484">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.426943" y3="-1.141309" z3="-1.313986">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="5.905963" y3="-1.866298" z3="-0.189044">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.335814" y3="-0.725152" z3="-2.276268">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.366678" y3="0.616636" z3="-1.237908">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="4.982882" y3="-2.364374" z3="0.894663">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.27912" y3="-2.13146" z3="-0.071555">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.699545" y3="-1.012455" z3="-2.157649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.173146" y3="-1.712883" z3="-1.052964">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-4.769294" y3="-1.778271" z3="-1.91271">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-5.615938" y3="-2.687117" z3="-0.969825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.638877" y3="-0.411311" z3="-0.399854">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.649619" y3="-4.364355" z3="0.813858">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.147856" y3="-4.220317" z3="1.47935">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.362998" y3="-4.094445" z3="-0.168929">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.580149" y3="3.313491" z3="-0.069988">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.479643" y3="2.105105" z3="0.920789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.039646" y3="3.326402" z3="-1.365683">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.722316" y3="1.731732" z3="-1.663122">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.415266" y3="2.914702" z3="-0.288465">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.319727" y3="2.711176" z3="1.470774">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.319454" y3="-1.625527" z3="-1.255647">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="3.778182" y3="-0.461349" z3="-2.469434">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="5.976985" y3="-0.163597" z3="-3.134292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="3.990652" y3="-1.915972" z3="0.906051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.414994" y3="-2.242902" z3="1.890575">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.650414" y3="-2.66899" z3="0.805464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.388323" y3="-0.679264" z3="-2.929581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.23183" y3="-1.926159" z3="-0.948048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-4.707776" y3="-2.216132" z3="-2.908917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-3.75186" y3="-1.700652" z3="-1.507131">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3801,1.5442,-1.4299;-4.7535,.5983,.3997;.7791,.2281,2.6338;-1.4742,2.3666,3.8142;4.2951,1.3547,-.3135;-3.366,1.4434,2.996;-5.342,-3.9,-1.0252;-6.4429,-2.0955,-.2432;-.2852,1.8838,1.2663;2.223,.384,-.1582;-5.282,-.4246,-2.0909;-5.9505,1.6358,-1.8718;4.7689,-3.868,.7413;-5.8708,-.0558,-3.2565;-6.2559,1.175,-3.1032;.4424,2.2369,.0497;1.6643,1.447,.6018;.7039,1.0366,1.7463;-1.6881,1.9823,1.4631;-2.4896,2.186,.4051;-2.0224,2.2826,-1.0237;-3.9861,2.3116,.5166;3.5386,.4258,-.5717;-2.2112,1.9165,2.9133;3.9718,-.7677,-1.4405;5.4269,-1.1413,-1.314;5.906,-1.8663,-.189;6.3358,-.7252,-2.2763;-5.3667,.6166,-1.2379;4.9829,-2.3644,.8947;7.2791,-2.1315,-.0716;7.6995,-1.0125,-2.1576;8.1731,-1.7129,-1.053;-4.7693,-1.7783,-1.9127;-5.6159,-2.6871,-.9698;1.6389,-.4113,-.3999;5.6496,-4.3644,.8139;4.1479,-4.2203,1.4793;4.363,-4.0944,-.1689;.5801,3.3135,-.07;2.4796,2.1051,.9208;-2.0396,3.3264,-1.3657;-2.7223,1.7317,-1.6631;-4.4153,2.9147,-.2885;-4.3197,2.7112,1.4708;3.3195,-1.6255,-1.2556;3.7782,-.4613,-2.4694;5.977,-.1636,-3.1343;3.9907,-1.916,.9061;5.415,-2.2429,1.8906;7.6504,-2.669,.8055;8.3883,-.6793,-2.9296;9.2318,-1.9262,-.948;-4.7078,-2.2161,-2.9089;-3.7519,-1.7007,-1.5071;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1632243 0.0428181 0.0398075</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.467105" y3="1.561546" z3="-1.45913">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.748172" y3="0.636107" z3="0.397545">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.784605" y3="0.16379" z3="2.538271">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.44111" y3="2.226505" z3="3.835577">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.28929" y3="1.425246" z3="-0.280176">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.344899" y3="1.337811" z3="3.020524">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-5.206583" y3="-3.889247" z3="-0.849203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.352192" y3="-2.067606" z3="-0.202671">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.326818" y3="1.843903" z3="1.231817">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.216953" y3="0.415643" z3="-0.222401">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.175284" y3="-0.469851" z3="-2.041001">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-5.912426" y3="1.577763" z3="-1.923946">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.57176" y3="-3.7493" z3="0.610591">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-5.729322" y3="-0.163232" z3="-3.243748">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.149141" y3="1.063162" z3="-3.149894">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.384861" y3="2.225095" z3="0.011027">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.619504" y3="1.446007" z3="0.542819">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.672861" y3="0.982447" z3="1.669921">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.729685" y3="1.939118" z3="1.468553">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.547536" y3="2.185402" z3="0.441421">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-2.099545" y3="2.29609" z3="-0.990513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-4.03295" y3="2.372871" z3="0.537336">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.555745" y3="0.494034" z3="-0.58692">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.20213" y3="1.81741" z3="2.935043">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.047647" y3="-0.671936" z3="-1.472342">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.484767" y3="-1.087553" z3="-1.315637">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="5.882613" y3="-1.843961" z3="-0.177082">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.435925" y3="-0.741135" z3="-2.256631">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.310635" y3="0.602421" z3="-1.241306">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="4.886122" y3="-2.277166" z3="0.875393">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.23372" y3="-2.205366" z3="-0.030836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.775407" y3="-1.121557" z3="-2.105153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.175015" y3="-1.850918" z3="-0.991581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-4.628153" y3="-1.801369" z3="-1.796036">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-5.479896" y3="-2.68084" z3="-0.845722">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.662221" y3="-0.387385" z3="-0.507923">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.404058" y3="-4.316767" z3="0.64833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="3.914351" y3="-4.123818" z3="1.302938">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.173123" y3="-3.835478" z3="-0.327534">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.512943" y3="3.307132" z3="-0.08869">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.4216" y3="2.113598" z3="0.871039">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.102703" y3="3.35311" z3="-1.29655">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.821907" y3="1.774153" z3="-1.629963">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.403315" y3="2.995369" z3="-0.287924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.380616" y3="2.782747" z3="1.482018">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.416655" y3="-1.554843" z3="-1.336583">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="3.891755" y3="-0.337625" z3="-2.496212">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.134216" y3="-0.167541" z3="-3.128806">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="3.924513" y3="-1.758926" z3="0.888822">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.292321" y3="-2.206162" z3="1.887605">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.55137" y3="-2.768431" z3="0.857677">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.50231" y3="-0.836815" z3="-2.862507">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.213289" y3="-2.137259" z3="-0.861409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-4.523179" y3="-2.277042" z3="-2.771529">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-3.624569" y3="-1.672561" z3="-1.367369">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.4671,1.5615,-1.4591;-4.7482,.6361,.3975;.7846,.1638,2.5383;-1.4411,2.2265,3.8356;4.2893,1.4252,-.2802;-3.3449,1.3378,3.0205;-5.2066,-3.8892,-.8492;-6.3522,-2.0676,-.2027;-.3268,1.8439,1.2318;2.217,.4156,-.2224;-5.1753,-.4699,-2.041;-5.9124,1.5778,-1.9239;4.5718,-3.7493,.6106;-5.7293,-.1632,-3.2437;-6.1491,1.0632,-3.1499;.3849,2.2251,.011;1.6195,1.446,.5428;.6729,.9824,1.6699;-1.7297,1.9391,1.4686;-2.5475,2.1854,.4414;-2.0995,2.2961,-.9905;-4.0329,2.3729,.5373;3.5557,.494,-.5869;-2.2021,1.8174,2.935;4.0476,-.6719,-1.4723;5.4848,-1.0876,-1.3156;5.8826,-1.844,-.1771;6.4359,-.7411,-2.2566;-5.3106,.6024,-1.2413;4.8861,-2.2772,.8754;7.2337,-2.2054,-.0308;7.7754,-1.1216,-2.1052;8.175,-1.8509,-.9916;-4.6282,-1.8014,-1.796;-5.4799,-2.6808,-.8457;1.6622,-.3874,-.5079;5.4041,-4.3168,.6483;3.9144,-4.1238,1.3029;4.1731,-3.8355,-.3275;.5129,3.3071,-.0887;2.4216,2.1136,.871;-2.1027,3.3531,-1.2966;-2.8219,1.7742,-1.63;-4.4033,2.9954,-.2879;-4.3806,2.7827,1.482;3.4167,-1.5548,-1.3366;3.8918,-.3376,-2.4962;6.1342,-.1675,-3.1288;3.9245,-1.7589,.8888;5.2923,-2.2062,1.8876;7.5514,-2.7684,.8577;8.5023,-.8368,-2.8625;9.2133,-2.1373,-.8614;-4.5232,-2.277,-2.7715;-3.6246,-1.6726,-1.3674;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1660333 0.0433377 0.0404532</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.3199" y3="1.482648" z3="-1.544431">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.835112" y3="0.560348" z3="0.39249">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.827468" y3="0.062772" z3="2.501326">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.314084" y3="2.085864" z3="3.694176">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.413303" y3="1.359477" z3="-0.305393">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.23587" y3="1.110629" z3="2.999185">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.121324" y3="-3.757415" z3="-0.936116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.909088" y3="-1.806184" z3="-0.081526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.240615" y3="1.729088" z3="1.162756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.35858" y3="0.370414" z3="-0.288514">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.691195" y3="-0.342657" z3="-2.070445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.075223" y3="1.776427" z3="-1.77728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.874541" y3="-3.778711" z3="0.816032">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.316388" y3="0.113992" z3="-3.178582">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.522872" y3="1.38176" z3="-2.993768">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.47946" y3="2.152024" z3="-0.035131">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.727582" y3="1.381989" z3="0.506421">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.764382" y3="0.892675" z3="1.622018">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.631399" y3="1.787139" z3="1.3679">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.439219" y3="2.030118" z3="0.308628">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.975891" y3="2.179187" z3="-1.128036">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.92249" y3="2.194591" z3="0.47973">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.680355" y3="0.434486" z3="-0.639173">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.103776" y3="1.639793" z3="2.829892">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.166946" y3="-0.734683" z3="-1.504763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.62312" y3="-1.081204" z3="-1.266393">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.062756" y3="-1.78497" z3="-0.125021">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.579448" y3="-0.665389" z3="-2.200741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.561248" y3="0.688213" z3="-1.205867">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.109208" y3="-2.277238" z3="0.935587">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.430496" y3="-2.040527" z3="0.050733">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.936021" y3="-0.937197" z3="-2.026823">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.366869" y3="-1.627894" z3="-0.89439">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.348941" y3="-1.749744" z3="-1.91489">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.235831" y3="-2.51232" z3="-0.8698">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.806635" y3="-0.420461" z3="-0.591476">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.752289" y3="-4.298378" z3="0.906693">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.240573" y3="-4.113035" z3="1.548438">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.465003" y3="-4.032356" z3="-0.087614">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.579431" y3="3.236352" z3="-0.121017">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.506052" y3="2.059091" z3="0.862559">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.996345" y3="3.233379" z3="-1.428602">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.670372" y3="1.651781" z3="-1.789951">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.357404" y3="2.831303" z3="-0.293003">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.172971" y3="2.579059" z3="1.463894">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.511197" y3="-1.601179" z3="-1.377156">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.043199" y3="-0.419137" z3="-2.546572">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.251342" y3="-0.120111" z3="-3.080674">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.123491" y3="-1.818648" z3="0.890911">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.51076" y3="-2.128463" z3="1.938511">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.767391" y3="-2.560359" z3="0.944155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.652822" y3="-0.604246" z3="-2.770938">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.420803" y3="-1.836241" z3="-0.742019">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.43821" y3="-2.205919" z3="-2.900538">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.304103" y3="-1.813141" z3="-1.596052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3199,1.4826,-1.5444;-4.8351,.5603,.3925;.8275,.0628,2.5013;-1.3141,2.0859,3.6942;4.4133,1.3595,-.3054;-3.2359,1.1106,2.9992;-6.1213,-3.7574,-.9361;-6.9091,-1.8062,-.0815;-.2406,1.7291,1.1628;2.3586,.3704,-.2885;-5.6912,-.3427,-2.0704;-6.0752,1.7764,-1.7773;4.8745,-3.7787,.816;-6.3164,.114,-3.1786;-6.5229,1.3818,-2.9938;.4795,2.152,-.0351;1.7276,1.382,.5064;.7644,.8927,1.622;-1.6314,1.7871,1.3679;-2.4392,2.0301,.3086;-1.9759,2.1792,-1.128;-3.9225,2.1946,.4797;3.6804,.4345,-.6392;-2.1038,1.6398,2.8299;4.1669,-.7347,-1.5048;5.6231,-1.0812,-1.2664;6.0628,-1.785,-.125;6.5794,-.6654,-2.2007;-5.5612,.6882,-1.2059;5.1092,-2.2772,.9356;7.4305,-2.0405,.0507;7.936,-.9372,-2.0268;8.3669,-1.6279,-.8944;-5.3489,-1.7497,-1.9149;-6.2358,-2.5123,-.8698;1.8066,-.4205,-.5915;5.7523,-4.2984,.9067;4.2406,-4.113,1.5484;4.465,-4.0324,-.0876;.5794,3.2364,-.121;2.5061,2.0591,.8626;-1.9963,3.2334,-1.4286;-2.6704,1.6518,-1.79;-4.3574,2.8313,-.293;-4.173,2.5791,1.4639;3.5112,-1.6012,-1.3772;4.0432,-.4191,-2.5466;6.2513,-.1201,-3.0807;4.1235,-1.8186,.8909;5.5108,-2.1285,1.9385;7.7674,-2.5604,.9442;8.6528,-.6042,-2.7709;9.4208,-1.8362,-.742;-5.4382,-2.2059,-2.9005;-4.3041,-1.8131,-1.5961;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1753744 0.0396811 0.0378734</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.318967" y3="1.488709" z3="-1.511083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.883199" y3="0.603356" z3="0.378706">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.931023" y3="0.111934" z3="2.514177">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.227785" y3="2.095209" z3="3.781104">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.372667" y3="1.374263" z3="-0.345388">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.128303" y3="1.069025" z3="3.141209">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.146947" y3="-3.763475" z3="-0.816321">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.987331" y3="-1.752444" z3="-0.176343">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.205586" y3="1.756207" z3="1.191433">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.386662" y3="0.381615" z3="-0.264892">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.597089" y3="-0.427105" z3="-2.079753">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-5.955645" y3="1.705947" z3="-1.955457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.651095" y3="-3.777019" z3="0.712326">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.143843" y3="-0.055065" z3="-3.265083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.319607" y3="1.227167" z3="-3.173391">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.50067" y3="2.169319" z3="-0.03214">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.76169" y3="1.425369" z3="0.509462">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.819206" y3="0.929662" z3="1.634473">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.610527" y3="1.785849" z3="1.436117">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.439272" y3="2.029567" z3="0.39471">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.968418" y3="2.18165" z3="-1.050021">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.945851" y3="2.23028" z3="0.511796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.679428" y3="0.425486" z3="-0.658032">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.026705" y3="1.625348" z3="2.925156">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.176154" y3="-0.744722" z3="-1.520433">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.626568" y3="-1.06351" z3="-1.287722">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.023468" y3="-1.77775" z3="-0.156801">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.605383" y3="-0.632886" z3="-2.196181">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.508242" y3="0.650131" z3="-1.270085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="4.980215" y3="-2.262095" z3="0.828912">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.391397" y3="-2.032888" z3="0.045182">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.962238" y3="-0.903928" z3="-1.995962">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.362373" y3="-1.609522" z3="-0.863712">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.265479" y3="-1.822465" z3="-1.830621">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.251066" y3="-2.514311" z3="-0.836756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.843672" y3="-0.426793" z3="-0.534283">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.478915" y3="-4.357986" z3="0.90861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="3.928155" y3="-4.055412" z3="1.386256">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.304599" y3="-4.02496" z3="-0.229528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.594101" y3="3.253537" z3="-0.132426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.540703" y3="2.126341" z3="0.836098">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.978434" y3="3.24268" z3="-1.338704">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.6688" y3="1.668448" z3="-1.716787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.319029" y3="2.85282" z3="-0.298253">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.261844" y3="2.648774" z3="1.467498">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.552553" y3="-1.629066" z3="-1.373659">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.044795" y3="-0.445364" z3="-2.572298">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.303067" y3="-0.077271" z3="-3.077133">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.02556" y3="-1.730377" z3="0.692519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.316715" y3="-2.101333" z3="1.85811">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.695254" y3="-2.563892" z3="0.93486">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.693718" y3="-0.555782" z3="-2.718711">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.410771" y3="-1.819514" z3="-0.680015">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.265442" y3="-2.332538" z3="-2.795758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.247756" y3="-1.862431" z3="-1.425643">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.319,1.4887,-1.5111;-4.8832,.6034,.3787;.931,.1119,2.5142;-1.2278,2.0952,3.7811;4.3727,1.3743,-.3454;-3.1283,1.069,3.1412;-6.1469,-3.7635,-.8163;-6.9873,-1.7524,-.1763;-.2056,1.7562,1.1914;2.3867,.3816,-.2649;-5.5971,-.4271,-2.0798;-5.9556,1.7059,-1.9555;4.6511,-3.777,.7123;-6.1438,-.0551,-3.2651;-6.3196,1.2272,-3.1734;.5007,2.1693,-.0321;1.7617,1.4254,.5095;.8192,.9297,1.6345;-1.6105,1.7858,1.4361;-2.4393,2.0296,.3947;-1.9684,2.1816,-1.05;-3.9459,2.2303,.5118;3.6794,.4255,-.658;-2.0267,1.6253,2.9252;4.1762,-.7447,-1.5204;5.6266,-1.0635,-1.2877;6.0235,-1.7777,-.1568;6.6054,-.6329,-2.1962;-5.5082,.6501,-1.2701;4.9802,-2.2621,.8289;7.3914,-2.0329,.0452;7.9622,-.9039,-1.996;8.3624,-1.6095,-.8637;-5.2655,-1.8225,-1.8306;-6.2511,-2.5143,-.8368;1.8437,-.4268,-.5343;5.4789,-4.358,.9086;3.9282,-4.0554,1.3863;4.3046,-4.025,-.2295;.5941,3.2535,-.1324;2.5407,2.1263,.8361;-1.9784,3.2427,-1.3387;-2.6688,1.6684,-1.7168;-4.319,2.8528,-.2983;-4.2618,2.6488,1.4675;3.5526,-1.6291,-1.3737;4.0448,-.4454,-2.5723;6.3031,-.0773,-3.0771;4.0256,-1.7304,.6925;5.3167,-2.1013,1.8581;7.6953,-2.5639,.9349;8.6937,-.5558,-2.7187;9.4108,-1.8195,-.68;-5.2654,-2.3325,-2.7958;-4.2478,-1.8624,-1.4256;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1715317 0.0401795 0.0381764</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.32116" y3="1.538658" z3="-1.52191">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.769949" y3="0.596672" z3="0.409629">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.804023" y3="0.228357" z3="2.570947">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.367969" y3="2.253592" z3="3.70179">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.392964" y3="1.396066" z3="-0.321469">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.257765" y3="1.236821" z3="2.979909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-5.904515" y3="-3.848472" z3="-0.823129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.814741" y3="-1.912371" z3="-0.07667">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.252428" y3="1.856641" z3="1.177686">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.322031" y3="0.4235" z3="-0.226777">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.540532" y3="-0.446375" z3="-2.021236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-5.979746" y3="1.674971" z3="-1.845079">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.802214" y3="-3.921642" z3="0.591767">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.135662" y3="-0.057586" z3="-3.173157">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.372134" y3="1.213184" z3="-3.054933">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.478631" y3="2.23655" z3="-0.029696">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.71516" y3="1.470742" z3="0.537699">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.743253" y3="1.024964" z3="1.66361">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.647722" y3="1.914163" z3="1.370863">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.44829" y3="2.132557" z3="0.304823">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.973823" y3="2.254833" z3="-1.127398">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.933325" y3="2.271045" z3="0.45075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.639161" y3="0.470239" z3="-0.60888">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.13355" y3="1.783646" z3="2.829064">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.102566" y3="-0.714184" z3="-1.46788">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.556763" y3="-1.081819" z3="-1.244346">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="5.980089" y3="-1.851571" z3="-0.137419">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.523094" y3="-0.608713" z3="-2.136038">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.462034" y3="0.626778" z3="-1.204963">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.00348" y3="-2.43377" z3="0.855573">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.347133" y3="-2.109985" z3="0.046879">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.878598" y3="-0.883594" z3="-1.953562">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.295202" y3="-1.634524" z3="-0.855357">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.153921" y3="-1.834628" z3="-1.807348">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.061663" y3="-2.608409" z3="-0.796446">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.757102" y3="-0.371519" z3="-0.494516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.67671" y3="-4.438877" z3="0.695664">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.12367" y3="-4.323731" z3="1.246534">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.461316" y3="-4.088314" z3="-0.360242">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.595705" y3="3.317448" z3="-0.141486">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.511046" y3="2.141258" z3="0.864454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.983707" y3="3.305231" z3="-1.443874">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.667959" y3="1.722425" z3="-1.786318">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.369873" y3="2.879405" z3="-0.346045">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.204448" y3="2.67844" z3="1.419759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.441046" y3="-1.578235" z3="-1.341019">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="3.980421" y3="-0.391803" z3="-2.505977">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.206409" y3="-0.012407" z3="-2.986767">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.009201" y3="-1.990393" z3="0.825239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.372626" y3="-2.366772" z3="1.880223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.671644" y3="-2.688794" z3="0.910026">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.605835" y3="-0.505607" z3="-2.665953">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.347877" y3="-1.845227" z3="-0.697565">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.172835" y3="-2.317911" z3="-2.783778">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.123568" y3="-1.844166" z3="-1.436316">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3212,1.5387,-1.5219;-4.7699,.5967,.4096;.804,.2284,2.5709;-1.368,2.2536,3.7018;4.393,1.3961,-.3215;-3.2578,1.2368,2.9799;-5.9045,-3.8485,-.8231;-6.8147,-1.9124,-.0767;-.2524,1.8566,1.1777;2.322,.4235,-.2268;-5.5405,-.4464,-2.0212;-5.9797,1.675,-1.8451;4.8022,-3.9216,.5918;-6.1357,-.0576,-3.1732;-6.3721,1.2132,-3.0549;.4786,2.2365,-.0297;1.7152,1.4707,.5377;.7433,1.025,1.6636;-1.6477,1.9142,1.3709;-2.4483,2.1326,.3048;-1.9738,2.2548,-1.1274;-3.9333,2.271,.4507;3.6392,.4702,-.6089;-2.1336,1.7836,2.8291;4.1026,-.7142,-1.4679;5.5568,-1.0818,-1.2443;5.9801,-1.8516,-.1374;6.5231,-.6087,-2.136;-5.462,.6268,-1.205;5.0035,-2.4338,.8556;7.3471,-2.11,.0469;7.8786,-.8836,-1.9536;8.2952,-1.6345,-.8554;-5.1539,-1.8346,-1.8073;-6.0617,-2.6084,-.7964;1.7571,-.3715,-.4945;5.6767,-4.4389,.6957;4.1237,-4.3237,1.2465;4.4613,-4.0883,-.3602;.5957,3.3174,-.1415;2.511,2.1413,.8645;-1.9837,3.3052,-1.4439;-2.668,1.7224,-1.7863;-4.3699,2.8794,-.346;-4.2044,2.6784,1.4198;3.441,-1.5782,-1.341;3.9804,-.3918,-2.506;6.2064,-.0124,-2.9868;4.0092,-1.9904,.8252;5.3726,-2.3668,1.8802;7.6716,-2.6888,.91;8.6058,-.5056,-2.666;9.3479,-1.8452,-.6976;-5.1728,-2.3179,-2.7838;-4.1236,-1.8442,-1.4363;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1691196 0.0408478 0.0385758</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.319609" y3="1.484291" z3="-1.542953">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.834281" y3="0.561487" z3="0.393581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.827514" y3="0.062292" z3="2.502169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.313755" y3="2.085076" z3="3.696031">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.413486" y3="1.358948" z3="-0.304721">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.23553" y3="1.110403" z3="3.000228">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.12023" y3="-3.756257" z3="-0.937135">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.908639" y3="-1.805539" z3="-0.082098">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.240163" y3="1.729462" z3="1.164341">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.358372" y3="0.370493" z3="-0.28766">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.689979" y3="-0.340904" z3="-2.069669">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.074011" y3="1.778119" z3="-1.776065">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.873126" y3="-3.781939" z3="0.811117">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.314881" y3="0.116048" z3="-3.177866">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.521337" y3="1.383781" z3="-2.99276">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.480027" y3="2.152675" z3="-0.033395">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.727897" y3="1.381996" z3="0.50776">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.764582" y3="0.892526" z3="1.623185">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.630961" y3="1.787695" z3="1.369517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.438734" y3="2.031389" z3="0.310411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.975372" y3="2.181115" z3="-1.126142">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.921974" y3="2.195852" z3="0.481499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.680096" y3="0.434348" z3="-0.638668">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.103392" y3="1.639582" z3="2.831405">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.166135" y3="-0.734466" z3="-1.505061">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.622231" y3="-1.08169" z3="-1.267186">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.061645" y3="-1.786993" z3="-0.126654">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.578674" y3="-0.664878" z3="-2.200933">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.560204" y3="0.689737" z3="-1.204808">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.107845" y3="-2.280668" z3="0.933083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.429336" y3="-2.043006" z3="0.048886">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.935192" y3="-0.93714" z3="-2.027239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.365839" y3="-1.629311" z3="-0.895637">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.347625" y3="-1.748023" z3="-1.914591">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.234838" y3="-2.511216" z3="-0.870297">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.806095" y3="-0.420084" z3="-0.590812">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.750748" y3="-4.301823" z3="0.901463">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.238704" y3="-4.117313" z3="1.542652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.464094" y3="-4.03407" z3="-0.093191">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.58041" y3="3.237012" z3="-0.118763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.50672" y3="2.058606" z3="0.864041">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.995499" y3="3.235491" z3="-1.426108">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.670026" y3="1.654297" z3="-1.788351">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.356812" y3="2.832953" z3="-0.29098">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.172484" y3="2.579899" z3="1.465817">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.510141" y3="-1.600878" z3="-1.378026">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.042397" y3="-0.41809" z3="-2.546603">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.25073" y3="-0.118415" z3="-3.080193">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.122147" y3="-1.82196" z3="0.888959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.509208" y3="-2.133451" z3="1.936319">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.766068" y3="-2.56411" z3="0.941647">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.652108" y3="-0.603391" z3="-2.770891">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.419728" y3="-1.838023" z3="-0.74345">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.436417" y3="-2.203748" z3="-2.90049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.302893" y3="-1.8114" z3="-1.595371">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3196,1.4843,-1.543;-4.8343,.5615,.3936;.8275,.0623,2.5022;-1.3138,2.0851,3.696;4.4135,1.3589,-.3047;-3.2355,1.1104,3.0002;-6.1202,-3.7563,-.9371;-6.9086,-1.8055,-.0821;-.2402,1.7295,1.1643;2.3584,.3705,-.2877;-5.69,-.3409,-2.0697;-6.074,1.7781,-1.7761;4.8731,-3.7819,.8111;-6.3149,.116,-3.1779;-6.5213,1.3838,-2.9928;.48,2.1527,-.0334;1.7279,1.382,.5078;.7646,.8925,1.6232;-1.631,1.7877,1.3695;-2.4387,2.0314,.3104;-1.9754,2.1811,-1.1261;-3.922,2.1959,.4815;3.6801,.4343,-.6387;-2.1034,1.6396,2.8314;4.1661,-.7345,-1.5051;5.6222,-1.0817,-1.2672;6.0616,-1.787,-.1267;6.5787,-.6649,-2.2009;-5.5602,.6897,-1.2048;5.1078,-2.2807,.9331;7.4293,-2.043,.0489;7.9352,-.9371,-2.0272;8.3658,-1.6293,-.8956;-5.3476,-1.748,-1.9146;-6.2348,-2.5112,-.8703;1.8061,-.4201,-.5908;5.7507,-4.3018,.9015;4.2387,-4.1173,1.5427;4.4641,-4.0341,-.0932;.5804,3.237,-.1188;2.5067,2.0586,.864;-1.9955,3.2355,-1.4261;-2.67,1.6543,-1.7884;-4.3568,2.833,-.291;-4.1725,2.5799,1.4658;3.5101,-1.6009,-1.378;4.0424,-.4181,-2.5466;6.2507,-.1184,-3.0802;4.1221,-1.822,.889;5.5092,-2.1335,1.9363;7.7661,-2.5641,.9416;8.6521,-.6034,-2.7709;9.4197,-1.838,-.7435;-5.4364,-2.2037,-2.9005;-4.3029,-1.8114,-1.5954;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1753135 0.0396914 0.0378798</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.258044" y3="1.516583" z3="-1.497297">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.794101" y3="0.526227" z3="0.433419">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.778712" y3="0.151688" z3="2.610628">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.372936" y3="2.239132" z3="3.679795">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.41282" y3="1.344332" z3="-0.306951">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.268622" y3="1.163649" z3="3.021335">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-5.935274" y3="-3.83801" z3="-1.177948">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.842195" y3="-1.993072" z3="-0.186112">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.241973" y3="1.801177" z3="1.218583">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.352594" y3="0.392723" z3="-0.172907">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.61912" y3="-0.338072" z3="-2.082016">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.015863" y3="1.774339" z3="-1.731457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.880444" y3="-3.806469" z3="0.927339">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.233908" y3="0.151767" z3="-3.178579">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.43673" y3="1.415524" z3="-2.965676">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.498644" y3="2.207562" z3="0.026622">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.735198" y3="1.441748" z3="0.60085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.750564" y3="0.974933" z3="1.715512">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.635281" y3="1.824313" z3="1.382797">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.420279" y3="2.036248" z3="0.295383">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.93268" y3="2.190157" z3="-1.134833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.895539" y3="2.15112" z3="0.476478">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.646328" y3="0.420535" z3="-0.581582">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.136655" y3="1.710803" z3="2.831828">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.057843" y3="-0.771272" z3="-1.450168">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.525358" y3="-1.115101" z3="-1.265733">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.028237" y3="-1.815497" z3="-0.157961">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.430494" y3="-0.690194" z3="-2.256196">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.509814" y3="0.668621" z3="-1.182783">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.130133" y3="-2.301361" z3="0.953704">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.405182" y3="-2.063659" z3="-0.061088">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.794587" y3="-0.946818" z3="-2.156731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.290898" y3="-1.638895" z3="-1.050185">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.243501" y3="-1.743029" z3="-1.992574">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.121086" y3="-2.603555" z3="-1.017029">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.779401" y3="-0.391135" z3="-0.441289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.759485" y3="-4.334879" z3="1.042463">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.265743" y3="-4.08482" z3="1.696415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.444731" y3="-4.133161" z3="0.055922">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.604289" y3="3.290205" z3="-0.07583">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.517753" y3="2.11818" z3="0.940295">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.958558" y3="3.241463" z3="-1.439424">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.603188" y3="1.655384" z3="-1.81426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.362882" y3="2.7647" z3="-0.296627">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.126601" y3="2.551123" z3="1.45817">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.396412" y3="-1.624553" z3="-1.267424">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="3.893079" y3="-0.484009" z3="-2.497215">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.051194" y3="-0.152159" z3="-3.119332">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.150417" y3="-1.822959" z3="0.923519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.577183" y3="-2.111647" z3="1.927861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.78519" y3="-2.593114" z3="0.801307">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.466074" y3="-0.607368" z3="-2.938108">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.35287" y3="-1.840005" z3="-0.954167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.301244" y3="-2.148674" z3="-3.001665">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.204132" y3="-1.793962" z3="-1.65974">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.258,1.5166,-1.4973;-4.7941,.5262,.4334;.7787,.1517,2.6106;-1.3729,2.2391,3.6798;4.4128,1.3443,-.307;-3.2686,1.1636,3.0213;-5.9353,-3.838,-1.1779;-6.8422,-1.9931,-.1861;-.242,1.8012,1.2186;2.3526,.3927,-.1729;-5.6191,-.3381,-2.082;-6.0159,1.7743,-1.7315;4.8804,-3.8065,.9273;-6.2339,.1518,-3.1786;-6.4367,1.4155,-2.9657;.4986,2.2076,.0266;1.7352,1.4417,.6008;.7506,.9749,1.7155;-1.6353,1.8243,1.3828;-2.4203,2.0362,.2954;-1.9327,2.1902,-1.1348;-3.8955,2.1511,.4765;3.6463,.4205,-.5816;-2.1367,1.7108,2.8318;4.0578,-.7713,-1.4502;5.5254,-1.1151,-1.2657;6.0282,-1.8155,-.158;6.4305,-.6902,-2.2562;-5.5098,.6686,-1.1828;5.1301,-2.3014,.9537;7.4052,-2.0637,-.0611;7.7946,-.9468,-2.1567;8.2909,-1.6389,-1.0502;-5.2435,-1.743,-1.9926;-6.1211,-2.6036,-1.017;1.7794,-.3911,-.4413;5.7595,-4.3349,1.0425;4.2657,-4.0848,1.6964;4.4447,-4.1332,.0559;.6043,3.2902,-.0758;2.5178,2.1182,.9403;-1.9586,3.2415,-1.4394;-2.6032,1.6554,-1.8143;-4.3629,2.7647,-.2966;-4.1266,2.5511,1.4582;3.3964,-1.6246,-1.2674;3.8931,-.484,-2.4972;6.0512,-.1522,-3.1193;4.1504,-1.823,.9235;5.5772,-2.1116,1.9279;7.7852,-2.5931,.8013;8.4661,-.6074,-2.9381;9.3529,-1.84,-.9542;-5.3012,-2.1487,-3.0017;-4.2041,-1.794,-1.6597;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1692981 0.0405145 0.0382907</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.265491" y3="1.664014" z3="-1.485811">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.894882" y3="0.78919" z3="0.321232">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.510262" y3="0.254876" z3="2.6365">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.660211" y3="2.408952" z3="3.658526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.33149" y3="1.335501" z3="0.11235">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.54141" y3="1.466113" z3="2.820603">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-5.861839" y3="-3.752176" z3="-0.343354">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.745536" y3="-1.704627" z3="0.083304">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.385542" y3="1.961597" z3="1.224011">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.236369" y3="0.468956" z3="-0.043801">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.34089" y3="-0.582901" z3="-2.02723">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-5.790077" y3="1.538384" z3="-2.204092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.957139" y3="-4.19326" z3="0.38066">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-5.788979" y3="-0.362433" z3="-3.284322">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.024362" y3="0.90982" z3="-3.380639">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.433285" y3="2.337112" z3="0.073184">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.604301" y3="1.516974" z3="0.703345">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.549958" y3="1.090438" z3="1.762055">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.790384" y3="2.044333" z3="1.318688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.514606" y3="2.258338" z3="0.196685">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.947459" y3="2.363236" z3="-1.204602">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-4.005141" y3="2.431647" z3="0.246822">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.579506" y3="0.460902" z3="-0.301959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.380412" y3="1.952541" z3="2.74016">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.042628" y3="-0.690981" z3="-1.208817">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.514613" y3="-1.034538" z3="-1.114744">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.029338" y3="-2.001859" z3="-0.227281">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.405905" y3="-0.389449" z3="-1.981407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.362493" y3="0.595282" z3="-1.364534">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.16509" y3="-2.734623" z3="0.772888">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.404166" y3="-2.289033" z3="-0.233624">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.769428" y3="-0.679442" z3="-1.982139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.273982" y3="-1.641145" z3="-1.106668">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.004774" y3="-1.924267" z3="-1.565371">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-5.993801" y3="-2.518165" z3="-0.505019">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.658992" y3="-0.273355" z3="-0.414381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.848091" y3="-4.677327" z3="0.249324">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.437203" y3="-4.706451" z3="1.098584">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.439186" y3="-4.280163" z3="-0.499331">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.584497" y3="3.414617" z3="-0.025343">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.38794" y3="2.159016" z3="1.109108">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.946124" y3="3.409659" z3="-1.532012">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.594347" y3="1.818887" z3="-1.900084">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.382613" y3="2.961638" z3="-0.629804">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.317548" y3="2.935799" z3="1.156319">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.415413" y3="-1.570813" z3="-1.046291">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="3.833561" y3="-0.359939" z3="-2.233008">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.015451" y3="0.347596" z3="-2.676902">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.171838" y3="-2.311732" z3="0.895214">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.637674" y3="-2.750743" z3="1.754626">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.801154" y3="-3.02864" z3="0.460886">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.431464" y3="-0.162632" z3="-2.670034">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.331389" y3="-1.884592" z3="-1.099706">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-4.967509" y3="-2.563784" z3="-2.447451">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.003233" y3="-1.889557" z3="-1.125976">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2655,1.664,-1.4858;-4.8949,.7892,.3212;.5103,.2549,2.6365;-1.6602,2.409,3.6585;4.3315,1.3355,.1124;-3.5414,1.4661,2.8206;-5.8618,-3.7522,-.3434;-6.7455,-1.7046,.0833;-.3855,1.9616,1.224;2.2364,.469,-.0438;-5.3409,-.5829,-2.0272;-5.7901,1.5384,-2.2041;4.9571,-4.1933,.3807;-5.789,-.3624,-3.2843;-6.0244,.9098,-3.3806;.4333,2.3371,.0732;1.6043,1.517,.7033;.55,1.0904,1.7621;-1.7904,2.0443,1.3187;-2.5146,2.2583,.1967;-1.9475,2.3632,-1.2046;-4.0051,2.4316,.2468;3.5795,.4609,-.302;-2.3804,1.9525,2.7402;4.0426,-.691,-1.2088;5.5146,-1.0345,-1.1147;6.0293,-2.0019,-.2273;6.4059,-.3894,-1.9814;-5.3625,.5953,-1.3645;5.1651,-2.7346,.7729;7.4042,-2.289,-.2336;7.7694,-.6794,-1.9821;8.274,-1.6411,-1.1067;-5.0048,-1.9243,-1.5654;-5.9938,-2.5182,-.505;1.659,-.2734,-.4144;5.8481,-4.6773,.2493;4.4372,-4.7065,1.0986;4.4392,-4.2802,-.4993;.5845,3.4146,-.0253;2.3879,2.159,1.1091;-1.9461,3.4097,-1.532;-2.5943,1.8189,-1.9001;-4.3826,2.9616,-.6298;-4.3175,2.9358,1.1563;3.4154,-1.5708,-1.0463;3.8336,-.3599,-2.233;6.0155,.3476,-2.6769;4.1718,-2.3117,.8952;5.6377,-2.7507,1.7546;7.8012,-3.0286,.4609;8.4315,-.1626,-2.67;9.3314,-1.8846,-1.0997;-4.9675,-2.5638,-2.4475;-4.0032,-1.8896,-1.126;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1637603 0.0412441 0.0387835</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.320053" y3="1.485344" z3="-1.542417">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.835684" y3="0.561379" z3="0.393895">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.825063" y3="0.062899" z3="2.502935">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.316801" y3="2.086157" z3="3.69614">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.412378" y3="1.359948" z3="-0.301261">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.238311" y3="1.111458" z3="2.999617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.118005" y3="-3.75848" z3="-0.931417">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.907051" y3="-1.806697" z3="-0.079289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.241988" y3="1.730408" z3="1.165021">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.357296" y3="0.371775" z3="-0.286133">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.688255" y3="-0.344754" z3="-2.069075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.073518" y3="1.774531" z3="-1.778846">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.876419" y3="-3.783472" z3="0.808867">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.312227" y3="0.110393" z3="-3.178528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.519351" y3="1.378311" z3="-2.99549">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.478675" y3="2.153816" z3="-0.03236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.726348" y3="1.383081" z3="0.509203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.762614" y3="0.89347" z3="1.624219">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.632903" y3="1.788366" z3="1.36953">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.440262" y3="2.031688" z3="0.310006">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.976331" y3="2.181389" z3="-1.126383">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.923626" y3="2.195923" z3="0.48046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.67922" y3="0.435566" z3="-0.636234">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.106015" y3="1.640479" z3="2.831212">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.165437" y3="-0.732816" z3="-1.503156">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.62194" y3="-1.079333" z3="-1.266882">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.062835" y3="-1.786675" z3="-0.128223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.577279" y3="-0.660406" z3="-2.200859">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.559848" y3="0.68717" z3="-1.205521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.110542" y3="-2.282203" z3="0.93203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.430806" y3="-2.042658" z3="0.045263">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.934078" y3="-0.93249" z3="-2.029179">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.366171" y3="-1.626842" z3="-0.899455">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.345573" y3="-1.751532" z3="-1.911553">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.233017" y3="-2.513368" z3="-0.866417">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.805071" y3="-0.418509" z3="-0.590121">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.754521" y3="-4.302992" z3="0.896718">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.243798" y3="-4.120126" z3="1.541363">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.465585" y3="-4.034887" z3="-0.094823">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.578962" y3="3.238162" z3="-0.117679">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.504899" y3="2.059707" z3="0.866059">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.996823" y3="3.235714" z3="-1.42648">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.670467" y3="1.654179" z3="-1.788815">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.35835" y3="2.832114" z3="-0.292811">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.174534" y3="2.580875" z3="1.464326">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.51008" y3="-1.599593" z3="-1.375562">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.04049" y3="-0.416432" z3="-2.544578">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.248164" y3="-0.112506" z3="-3.078784">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.124605" y3="-1.823909" z3="0.889618">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.513062" y3="-2.135672" z3="1.934887">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.768698" y3="-2.565429" z3="0.936618">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.650063" y3="-0.597056" z3="-2.772965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.420272" y3="-1.83564" z3="-0.748867">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.433745" y3="-2.208927" z3="-2.896739">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.300983" y3="-1.814108" z3="-1.591744">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3201,1.4853,-1.5424;-4.8357,.5614,.3939;.8251,.0629,2.5029;-1.3168,2.0862,3.6961;4.4124,1.3599,-.3013;-3.2383,1.1115,2.9996;-6.118,-3.7585,-.9314;-6.9071,-1.8067,-.0793;-.242,1.7304,1.165;2.3573,.3718,-.2861;-5.6883,-.3448,-2.0691;-6.0735,1.7745,-1.7788;4.8764,-3.7835,.8089;-6.3122,.1104,-3.1785;-6.5194,1.3783,-2.9955;.4787,2.1538,-.0324;1.7263,1.3831,.5092;.7626,.8935,1.6242;-1.6329,1.7884,1.3695;-2.4403,2.0317,.31;-1.9763,2.1814,-1.1264;-3.9236,2.1959,.4805;3.6792,.4356,-.6362;-2.106,1.6405,2.8312;4.1654,-.7328,-1.5032;5.6219,-1.0793,-1.2669;6.0628,-1.7867,-.1282;6.5773,-.6604,-2.2009;-5.5598,.6872,-1.2055;5.1105,-2.2822,.932;7.4308,-2.0427,.0453;7.9341,-.9325,-2.0292;8.3662,-1.6268,-.8995;-5.3456,-1.7515,-1.9116;-6.233,-2.5134,-.8664;1.8051,-.4185,-.5901;5.7545,-4.303,.8967;4.2438,-4.1201,1.5414;4.4656,-4.0349,-.0948;.579,3.2382,-.1177;2.5049,2.0597,.8661;-1.9968,3.2357,-1.4265;-2.6705,1.6542,-1.7888;-4.3583,2.8321,-.2928;-4.1745,2.5809,1.4643;3.5101,-1.5996,-1.3756;4.0405,-.4164,-2.5446;6.2482,-.1125,-3.0788;4.1246,-1.8239,.8896;5.5131,-2.1357,1.9349;7.7687,-2.5654,.9366;8.6501,-.5971,-2.773;9.4203,-1.8356,-.7489;-5.4337,-2.2089,-2.8967;-4.301,-1.8141,-1.5917;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1752352 0.0396947 0.0378821</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.26359" y3="1.472414" z3="-1.561072">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.87586" y3="0.623525" z3="0.388978">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.80519" y3="0.03495" z3="2.482494">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.301566" y3="2.050792" z3="3.653169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.446031" y3="1.424903" z3="-0.250865">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.288831" y3="1.220868" z3="2.957036">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.444303" y3="-3.661443" z3="-0.546194">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.093156" y3="-1.568819" z3="0.056209">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.238944" y3="1.716373" z3="1.143315">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.405158" y3="0.403417" z3="-0.276436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.692375" y3="-0.440169" z3="-2.023365">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-5.924179" y3="1.719228" z3="-1.944526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.87014" y3="-3.903827" z3="0.565954">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.230262" y3="-0.04904" z3="-3.197904">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.352213" y3="1.242138" z3="-3.139293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.499056" y3="2.15296" z3="-0.034923">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.744584" y3="1.390148" z3="0.52636">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.758056" y3="0.874352" z3="1.610406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.630912" y3="1.787387" z3="1.327524">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.419708" y3="2.02349" z3="0.250297">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.934851" y3="2.151566" z3="-1.182783">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.901975" y3="2.223423" z3="0.400287">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.726454" y3="0.504718" z3="-0.622102">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.121285" y3="1.669194" z3="2.785979">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.225092" y3="-0.632963" z3="-1.522545">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.66493" y3="-1.005946" z3="-1.24606">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.0410" y3="-1.814217" z3="-0.1531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.671032" y3="-0.499767" z3="-2.078734">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.516632" y3="0.657549" z3="-1.25211">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.03362" y3="-2.408964" z3="0.79897">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.39762" y3="-2.076566" z3="0.082506">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.016645" y3="-0.782767" z3="-1.849618">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.385085" y3="-1.574071" z3="-0.761515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.473162" y3="-1.845031" z3="-1.707978">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.455746" y3="-2.411123" z3="-0.620783">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.862765" y3="-0.374742" z3="-0.62531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.765739" y3="-4.39023" z3="0.680135">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.214621" y3="-4.311981" z3="1.23964">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.524245" y3="-4.115688" z3="-0.373494">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.586247" y3="3.238373" z3="-0.117514">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.507219" y3="2.069911" z3="0.909522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.968796" y3="3.199358" z3="-1.502792">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.611403" y3="1.60235" z3="-1.845478">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.318402" y3="2.836624" z3="-0.400451">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.15068" y3="2.6518" z3="1.366695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.556637" y3="-1.49234" z3="-1.442041">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.134459" y3="-0.272062" z3="-2.553164">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.390553" y3="0.126027" z3="-2.920629">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.038024" y3="-1.978772" z3="0.715381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.362759" y3="-2.320744" z3="1.834574">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.682179" y3="-2.674478" z3="0.94365">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.774334" y3="-0.3783" z3="-2.513169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.430062" y3="-1.790482" z3="-0.564915">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.568892" y3="-2.39855" z3="-2.641642">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.450162" y3="-1.957965" z3="-1.337238">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2636,1.4724,-1.5611;-4.8759,.6235,.389;.8052,.035,2.4825;-1.3016,2.0508,3.6532;4.446,1.4249,-.2509;-3.2888,1.2209,2.957;-6.4443,-3.6614,-.5462;-7.0932,-1.5688,.0562;-.2389,1.7164,1.1433;2.4052,.4034,-.2764;-5.6924,-.4402,-2.0234;-5.9242,1.7192,-1.9445;4.8701,-3.9038,.566;-6.2303,-.049,-3.1979;-6.3522,1.2421,-3.1393;.4991,2.153,-.0349;1.7446,1.3901,.5264;.7581,.8744,1.6104;-1.6309,1.7874,1.3275;-2.4197,2.0235,.2503;-1.9349,2.1516,-1.1828;-3.902,2.2234,.4003;3.7265,.5047,-.6221;-2.1213,1.6692,2.786;4.2251,-.633,-1.5225;5.6649,-1.0059,-1.2461;6.041,-1.8142,-.1531;6.671,-.4998,-2.0787;-5.5166,.6575,-1.2521;5.0336,-2.409,.799;7.3976,-2.0766,.0825;8.0166,-.7828,-1.8496;8.3851,-1.5741,-.7615;-5.4732,-1.845,-1.708;-6.4557,-2.4111,-.6208;1.8628,-.3747,-.6253;5.7657,-4.3902,.6801;4.2146,-4.312,1.2396;4.5242,-4.1157,-.3735;.5862,3.2384,-.1175;2.5072,2.0699,.9095;-1.9688,3.1994,-1.5028;-2.6114,1.6023,-1.8455;-4.3184,2.8366,-.4005;-4.1507,2.6518,1.3667;3.5566,-1.4923,-1.442;4.1345,-.2721,-2.5532;6.3906,.126,-2.9206;4.038,-1.9788,.7154;5.3628,-2.3207,1.8346;7.6822,-2.6745,.9436;8.7743,-.3783,-2.5132;9.4301,-1.7905,-.5649;-5.5689,-2.3986,-2.6416;-4.4502,-1.958,-1.3372;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1776039 0.0392676 0.0377023</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.327576" y3="1.384674" z3="-1.615905">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.79144" y3="0.46513" z3="0.436059">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="1.017898" y3="0.098445" z3="2.414604">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.160537" y3="2.049062" z3="3.630242">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.491905" y3="1.426713" z3="-0.488676">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.061884" y3="0.975679" z3="3.025064">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.018787" y3="-3.772098" z3="-1.072258">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.756689" y3="-1.911372" z3="0.005493">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.170265" y3="1.681997" z3="1.07406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.442161" y3="0.419076" z3="-0.41403">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.846443" y3="-0.275385" z3="-1.997128">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.256132" y3="1.804026" z3="-1.499811">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.671074" y3="-3.686849" z3="0.723565">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.596667" y3="0.239716" z3="-2.99433">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.821761" y3="1.4821" z3="-2.688413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.494589" y3="2.116615" z3="-0.14907">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.794318" y3="1.419806" z3="0.371821">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.889003" y3="0.905904" z3="1.522002">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.550711" y3="1.705911" z3="1.327413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.398487" y3="1.916226" z3="0.293212">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.989461" y3="2.045627" z3="-1.159986">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.868238" y3="2.095587" z3="0.525224">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.757899" y3="0.487703" z3="-0.781013">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-1.964348" y3="1.555999" z3="2.806758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.241564" y3="-0.734204" z3="-1.578174">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.677403" y3="-1.088802" z3="-1.255329">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.039431" y3="-1.73611" z3="-0.05323">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.689826" y3="-0.72227" z3="-2.14669">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.653652" y3="0.694746" z3="-1.077013">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.007028" y3="-2.213864" z3="0.93145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.390263" y3="-1.959288" z3="0.242924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.032075" y3="-0.970184" z3="-1.856625">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.387535" y3="-1.581984" z3="-0.654768">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.436736" y3="-1.673054" z3="-1.989758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.16466" y3="-2.539896" z3="-0.904301">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.910537" y3="-0.401524" z3="-0.673225">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.513768" y3="-4.26039" z3="0.81499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.002131" y3="-4.001546" z3="1.433554">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.266663" y3="-3.891438" z3="-0.194831">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.540557" y3="3.202495" z3="-0.259194">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.550254" y3="2.142448" z3="0.685297">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.054333" y3="3.089896" z3="-1.487622">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.688811" y3="1.476424" z3="-1.782049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.32851" y3="2.743884" z3="-0.224254">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.083447" y3="2.471545" z3="1.52158">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.552877" y3="-1.566852" z3="-1.412814">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.154423" y3="-0.48624" z3="-2.641096">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.423372" y3="-0.233093" z3="-3.07893">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.065102" y3="-1.669402" z3="0.866513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.368966" y3="-2.161206" z3="1.958196">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.658764" y3="-2.425806" z3="1.187086">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.799377" y3="-0.673699" z3="-2.565196">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.43127" y3="-1.755806" z3="-0.414128">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.618485" y3="-2.05939" z3="-2.991999">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.362323" y3="-1.708889" z3="-1.785921">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3276,1.3847,-1.6159;-4.7914,.4651,.4361;1.0179,.0984,2.4146;-1.1605,2.0491,3.6302;4.4919,1.4267,-.4887;-3.0619,.9757,3.0251;-6.0188,-3.7721,-1.0723;-6.7567,-1.9114,.0055;-.1703,1.682,1.0741;2.4422,.4191,-.414;-5.8464,-.2754,-1.9971;-6.2561,1.804,-1.4998;4.6711,-3.6868,.7236;-6.5967,.2397,-2.9943;-6.8218,1.4821,-2.6884;.4946,2.1166,-.1491;1.7943,1.4198,.3718;.889,.9059,1.522;-1.5507,1.7059,1.3274;-2.3985,1.9162,.2932;-1.9895,2.0456,-1.16;-3.8682,2.0956,.5252;3.7579,.4877,-.781;-1.9643,1.556,2.8068;4.2416,-.7342,-1.5782;5.6774,-1.0888,-1.2553;6.0394,-1.7361,-.0532;6.6898,-.7223,-2.1467;-5.6537,.6947,-1.077;5.007,-2.2139,.9315;7.3903,-1.9593,.2429;8.0321,-.9702,-1.8566;8.3875,-1.582,-.6548;-5.4367,-1.6731,-1.9898;-6.1647,-2.5399,-.9043;1.9105,-.4015,-.6732;5.5138,-4.2604,.815;4.0021,-4.0015,1.4336;4.2667,-3.8914,-.1948;.5406,3.2025,-.2592;2.5503,2.1424,.6853;-2.0543,3.0899,-1.4876;-2.6888,1.4764,-1.782;-4.3285,2.7439,-.2243;-4.0834,2.4715,1.5216;3.5529,-1.5669,-1.4128;4.1544,-.4862,-2.6411;6.4234,-.2331,-3.0789;4.0651,-1.6694,.8665;5.369,-2.1612,1.9582;7.6588,-2.4258,1.1871;8.7994,-.6737,-2.5652;9.4313,-1.7558,-.4141;-5.6185,-2.0594,-2.992;-4.3623,-1.7089,-1.7859;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1825662 0.0394746 0.0378055</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.308179" y3="1.463852" z3="-1.5620">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.837559" y3="0.557112" z3="0.401334">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.85828" y3="0.064595" z3="2.481324">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.282334" y3="2.07173" z3="3.672607">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.436812" y3="1.391827" z3="-0.325821">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.217944" y3="1.111962" z3="2.994608">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.173848" y3="-3.748011" z3="-0.858167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.924289" y3="-1.773506" z3="-0.021776">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.22766" y3="1.719011" z3="1.141672">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.386169" y3="0.39112" z3="-0.308732">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.7198" y3="-0.355989" z3="-2.04746">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.076673" y3="1.770595" z3="-1.769869">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.83181" y3="-3.796164" z3="0.734899">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.348839" y3="0.097293" z3="-3.153762">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.541274" y3="1.368979" z3="-2.977961">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.486378" y3="2.148201" z3="-0.056255">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.744349" y3="1.394288" z3="0.48655">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.786305" y3="0.892945" z3="1.601097">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.617086" y3="1.773013" z3="1.350763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.428044" y3="2.007792" z3="0.29161">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.969777" y3="2.148295" z3="-1.147553">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.908837" y3="2.183373" z3="0.469327">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.706768" y3="0.465229" z3="-0.661297">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.082876" y3="1.631895" z3="2.815391">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.195421" y3="-0.706752" z3="-1.523144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.644032" y3="-1.06193" z3="-1.259692">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.053214" y3="-1.78354" z3="-0.118032">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.623843" y3="-0.631114" z3="-2.161839">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.568992" y3="0.681971" z3="-1.194556">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.070368" y3="-2.300397" z3="0.902008">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.415782" y3="-2.035234" z3="0.095377">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.9757" y3="-0.901763" z3="-1.95229">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.376961" y3="-1.604992" z3="-0.816615">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.391037" y3="-1.764762" z3="-1.878521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.2720" y3="-2.500614" z3="-0.808736">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.84025" y3="-0.402699" z3="-0.615116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.707629" y3="-4.318851" z3="0.829398">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.185636" y3="-4.146042" z3="1.44922">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.437495" y3="-4.028953" z3="-0.180868">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.572488" y3="3.233357" z3="-0.146039">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.514696" y3="2.08123" z3="0.841383">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.002669" y3="3.199158" z3="-1.458222">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.66065" y3="1.607012" z3="-1.802206">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.344488" y3="2.816199" z3="-0.306288">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.152445" y3="2.577315" z3="1.451615">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.530067" y3="-1.565425" z3="-1.399307">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.086436" y3="-0.392659" z3="-2.566961">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.319154" y3="-0.074576" z3="-3.043126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.089887" y3="-1.83139" z3="0.845256">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.447962" y3="-2.186642" z3="1.918521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.726788" y3="-2.566333" z3="0.991226">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.712679" y3="-0.556445" z3="-2.670596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.427331" y3="-1.809211" z3="-0.636465">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.498038" y3="-2.232906" z3="-2.856649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.343701" y3="-1.835662" z3="-1.569924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3082,1.4639,-1.562;-4.8376,.5571,.4013;.8583,.0646,2.4813;-1.2823,2.0717,3.6726;4.4368,1.3918,-.3258;-3.2179,1.112,2.9946;-6.1738,-3.748,-.8582;-6.9243,-1.7735,-.0218;-.2277,1.719,1.1417;2.3862,.3911,-.3087;-5.7198,-.356,-2.0475;-6.0767,1.7706,-1.7699;4.8318,-3.7962,.7349;-6.3488,.0973,-3.1538;-6.5413,1.369,-2.978;.4864,2.1482,-.0563;1.7443,1.3943,.4865;.7863,.8929,1.6011;-1.6171,1.773,1.3508;-2.428,2.0078,.2916;-1.9698,2.1483,-1.1476;-3.9088,2.1834,.4693;3.7068,.4652,-.6613;-2.0829,1.6319,2.8154;4.1954,-.7068,-1.5231;5.644,-1.0619,-1.2597;6.0532,-1.7835,-.118;6.6238,-.6311,-2.1618;-5.569,.682,-1.1946;5.0704,-2.3004,.902;7.4158,-2.0352,.0954;7.9757,-.9018,-1.9523;8.377,-1.605,-.8166;-5.391,-1.7648,-1.8785;-6.272,-2.5006,-.8087;1.8402,-.4027,-.6151;5.7076,-4.3189,.8294;4.1856,-4.146,1.4492;4.4375,-4.029,-.1809;.5725,3.2334,-.146;2.5147,2.0812,.8414;-2.0027,3.1992,-1.4582;-2.6606,1.607,-1.8022;-4.3445,2.8162,-.3063;-4.1524,2.5773,1.4516;3.5301,-1.5654,-1.3993;4.0864,-.3927,-2.567;6.3192,-.0746,-3.0431;4.0899,-1.8314,.8453;5.448,-2.1866,1.9185;7.7268,-2.5663,.9912;8.7127,-.5564,-2.6706;9.4273,-1.8092,-.6365;-5.498,-2.2329,-2.8566;-4.3437,-1.8357,-1.5699;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1770735 0.0395400 0.0378279</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.317311" y3="1.479466" z3="-1.547959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.836428" y3="0.559438" z3="0.39486">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.832942" y3="0.06424" z3="2.497472">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.309141" y3="2.083434" z3="3.689335">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.418183" y3="1.368653" z3="-0.307421">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.233913" y3="1.111835" z3="2.997492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.131268" y3="-3.757541" z3="-0.91293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.911209" y3="-1.799937" z3="-0.065314">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.238991" y3="1.727884" z3="1.15848">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.364392" y3="0.376956" z3="-0.291752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.695948" y3="-0.349385" z3="-2.064426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.074611" y3="1.771766" z3="-1.777989">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.865681" y3="-3.785632" z3="0.79223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.321159" y3="0.104826" z3="-3.173303">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.524907" y3="1.373714" z3="-2.992456">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.480087" y3="2.152513" z3="-0.039081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.73043" y3="1.386367" z3="0.503181">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.768061" y3="0.893984" z3="1.618116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.629574" y3="1.784639" z3="1.363952">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.437757" y3="2.025354" z3="0.30435">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.975108" y3="2.172428" z3="-1.13273">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.920545" y3="2.192161" z3="0.476414">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.686023" y3="0.443471" z3="-0.642325">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.1010" y3="1.638779" z3="2.826364">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.173179" y3="-0.725976" z3="-1.507574">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.627813" y3="-1.074296" z3="-1.264256">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.060839" y3="-1.784787" z3="-0.124508">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.589337" y3="-0.652462" z3="-2.190412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.562266" y3="0.684364" z3="-1.203793">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.100798" y3="-2.285554" z3="0.925906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.427615" y3="-2.039353" z3="0.059119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.945047" y3="-0.923846" z3="-2.009094">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.369509" y3="-1.620003" z3="-0.877568">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.356469" y3="-1.756568" z3="-1.903615">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.242328" y3="-2.511823" z3="-0.85217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.813929" y3="-0.414418" z3="-0.596159">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.743285" y3="-4.305788" z3="0.881993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.229622" y3="-4.125475" z3="1.520282">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.459065" y3="-4.032752" z3="-0.114499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.576643" y3="3.237072" z3="-0.125834">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.506774" y3="2.065834" z3="0.85942">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.99886" y3="3.225817" z3="-1.435789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.668266" y3="1.641367" z3="-1.793157">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.355543" y3="2.827195" z3="-0.29768">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.169823" y3="2.5796" z3="1.459755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.515484" y3="-1.590838" z3="-1.380708">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.052258" y3="-0.410491" z3="-2.549722">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.266273" y3="-0.102723" z3="-3.069432">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.116115" y3="-1.824774" z3="0.879621">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.497035" y3="-2.146801" z3="1.932316">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.758843" y3="-2.563877" z3="0.951856">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.666336" y3="-0.5860" z3="-2.746633">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.422792" y3="-1.82739" z3="-0.719467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.449122" y3="-2.216986" z3="-2.886951">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.311195" y3="-1.820892" z3="-1.586469">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3173,1.4795,-1.548;-4.8364,.5594,.3949;.8329,.0642,2.4975;-1.3091,2.0834,3.6893;4.4182,1.3687,-.3074;-3.2339,1.1118,2.9975;-6.1313,-3.7575,-.9129;-6.9112,-1.7999,-.0653;-.239,1.7279,1.1585;2.3644,.377,-.2918;-5.6959,-.3494,-2.0644;-6.0746,1.7718,-1.778;4.8657,-3.7856,.7922;-6.3212,.1048,-3.1733;-6.5249,1.3737,-2.9925;.4801,2.1525,-.0391;1.7304,1.3864,.5032;.7681,.894,1.6181;-1.6296,1.7846,1.364;-2.4378,2.0254,.3044;-1.9751,2.1724,-1.1327;-3.9205,2.1922,.4764;3.686,.4435,-.6423;-2.101,1.6388,2.8264;4.1732,-.726,-1.5076;5.6278,-1.0743,-1.2643;6.0608,-1.7848,-.1245;6.5893,-.6525,-2.1904;-5.5623,.6844,-1.2038;5.1008,-2.2856,.9259;7.4276,-2.0394,.0591;7.945,-.9238,-2.0091;8.3695,-1.62,-.8776;-5.3565,-1.7566,-1.9036;-6.2423,-2.5118,-.8522;1.8139,-.4144,-.5962;5.7433,-4.3058,.882;4.2296,-4.1255,1.5203;4.4591,-4.0328,-.1145;.5766,3.2371,-.1258;2.5068,2.0658,.8594;-1.9989,3.2258,-1.4358;-2.6683,1.6414,-1.7932;-4.3555,2.8272,-.2977;-4.1698,2.5796,1.4598;3.5155,-1.5908,-1.3807;4.0523,-.4105,-2.5497;6.2663,-.1027,-3.0694;4.1161,-1.8248,.8796;5.497,-2.1468,1.9323;7.7588,-2.5639,.9519;8.6663,-.586,-2.7466;9.4228,-1.8274,-.7195;-5.4491,-2.217,-2.887;-4.3112,-1.8209,-1.5865;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1756903 0.0396550 0.0378680</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.32067" y3="1.491308" z3="-1.542419">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.833829" y3="0.557649" z3="0.395715">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.825787" y3="0.061173" z3="2.500632">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.31667" y3="2.077559" z3="3.697864">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.411359" y3="1.360512" z3="-0.307519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.237066" y3="1.103001" z3="2.998562">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.114807" y3="-3.762791" z3="-0.934104">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.909534" y3="-1.810662" z3="-0.088294">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.24147" y3="1.730191" z3="1.165514">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.356261" y3="0.372844" z3="-0.288708">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.679508" y3="-0.3492" z3="-2.069858">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.063647" y3="1.770294" z3="-1.782039">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.871945" y3="-3.774537" z3="0.818067">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.299149" y3="0.105982" z3="-3.181826">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.506031" y3="1.374098" z3="-2.999916">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.478911" y3="2.15597" z3="-0.031234">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.726728" y3="1.383748" z3="0.508177">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.763165" y3="0.892407" z3="1.622644">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.632548" y3="1.786429" z3="1.370415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.440294" y3="2.032078" z3="0.311907">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.976586" y3="2.18666" z3="-1.12395">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.92418" y3="2.193206" z3="0.483476">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.677422" y3="0.436436" z3="-0.641429">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.10549" y3="1.634008" z3="2.831605">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.163005" y3="-0.732336" z3="-1.508205">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.619168" y3="-1.079281" z3="-1.269973">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.058406" y3="-1.782494" z3="-0.128161">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.57562" y3="-0.664766" z3="-2.204738">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.552569" y3="0.682861" z3="-1.206359">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.104059" y3="-2.272307" z3="0.932775">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.425859" y3="-2.039764" z3="0.04728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.931956" y3="-0.93794" z3="-2.031054">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.362328" y3="-1.628672" z3="-0.898442">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.337979" y3="-1.75605" z3="-1.911366">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.230881" y3="-2.517735" z3="-0.871005">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.803336" y3="-0.417132" z3="-0.592334">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.750357" y3="-4.292514" z3="0.911781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.236812" y3="-4.107071" z3="1.550405">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.464244" y3="-4.031292" z3="-0.085548">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.579585" y3="3.240445" z3="-0.1141">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.506147" y3="2.059285" z3="0.865397">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.997065" y3="3.242019" z3="-1.420587">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.670778" y3="1.661787" z3="-1.788194">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.360745" y3="2.829586" z3="-0.288461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.175387" y3="2.576876" z3="1.46787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.506887" y3="-1.598838" z3="-1.381449">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.039369" y3="-0.415963" z3="-2.54978">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.247786" y3="-0.119817" z3="-3.084973">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.11749" y3="-1.81593" z3="0.884133">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.503057" y3="-2.119157" z3="1.936199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.762974" y3="-2.559184" z3="0.940844">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.648882" y3="-0.60625" z3="-2.775624">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.416074" y3="-1.838147" z3="-0.74633">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.421563" y3="-2.212744" z3="-2.897289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.294883" y3="-1.819049" z3="-1.586656">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3207,1.4913,-1.5424;-4.8338,.5576,.3957;.8258,.0612,2.5006;-1.3167,2.0776,3.6979;4.4114,1.3605,-.3075;-3.2371,1.103,2.9986;-6.1148,-3.7628,-.9341;-6.9095,-1.8107,-.0883;-.2415,1.7302,1.1655;2.3563,.3728,-.2887;-5.6795,-.3492,-2.0699;-6.0636,1.7703,-1.782;4.8719,-3.7745,.8181;-6.2991,.106,-3.1818;-6.506,1.3741,-2.9999;.4789,2.156,-.0312;1.7267,1.3837,.5082;.7632,.8924,1.6226;-1.6325,1.7864,1.3704;-2.4403,2.0321,.3119;-1.9766,2.1867,-1.124;-3.9242,2.1932,.4835;3.6774,.4364,-.6414;-2.1055,1.634,2.8316;4.163,-.7323,-1.5082;5.6192,-1.0793,-1.27;6.0584,-1.7825,-.1282;6.5756,-.6648,-2.2047;-5.5526,.6829,-1.2064;5.1041,-2.2723,.9328;7.4259,-2.0398,.0473;7.932,-.9379,-2.0311;8.3623,-1.6287,-.8984;-5.338,-1.7561,-1.9114;-6.2309,-2.5177,-.871;1.8033,-.4171,-.5923;5.7504,-4.2925,.9118;4.2368,-4.1071,1.5504;4.4642,-4.0313,-.0855;.5796,3.2404,-.1141;2.5061,2.0593,.8654;-1.9971,3.242,-1.4206;-2.6708,1.6618,-1.7882;-4.3607,2.8296,-.2885;-4.1754,2.5769,1.4679;3.5069,-1.5988,-1.3814;4.0394,-.416,-2.5498;6.2478,-.1198,-3.085;4.1175,-1.8159,.8841;5.5031,-2.1192,1.9362;7.763,-2.5592,.9408;8.6489,-.6062,-2.7756;9.4161,-1.8381,-.7463;-5.4216,-2.2127,-2.8973;-4.2949,-1.819,-1.5867;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1751352 0.0397450 0.0379314</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.321003" y3="1.487594" z3="-1.543304">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.83497" y3="0.559135" z3="0.395511">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.827282" y3="0.065523" z3="2.501467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.315392" y3="2.087111" z3="3.695671">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.412306" y3="1.362991" z3="-0.304896">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.236441" y3="1.110599" z3="3.000363">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.10884" y3="-3.763692" z3="-0.930385">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.906391" y3="-1.812891" z3="-0.08393">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.241646" y3="1.732349" z3="1.164172">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.357115" y3="0.375062" z3="-0.288659">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.681856" y3="-0.349746" z3="-2.068654">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.070614" y3="1.769091" z3="-1.780331">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.869491" y3="-3.780649" z3="0.809196">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.304148" y3="0.103853" z3="-3.179627">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.513483" y3="1.371585" z3="-2.997614">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.478116" y3="2.156313" z3="-0.033578">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.726576" y3="1.386316" z3="0.50719">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.763713" y3="0.895957" z3="1.622695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.632583" y3="1.789065" z3="1.3693">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.440675" y3="2.031921" z3="0.310226">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.977506" y3="2.182502" z3="-1.126331">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.924169" y3="2.194396" z3="0.481484">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.678928" y3="0.438552" z3="-0.639188">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.104751" y3="1.640721" z3="2.831205">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.164871" y3="-0.730156" z3="-1.50593">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.620639" y3="-1.078097" z3="-1.267488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.058705" y3="-1.78516" z3="-0.12758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.578031" y3="-0.660788" z3="-2.200063">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.556572" y3="0.682779" z3="-1.205332">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.103632" y3="-2.279235" z3="0.930864">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.426105" y3="-2.042207" z3="0.048716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.934266" y3="-0.93406" z3="-2.025642">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.363616" y3="-1.627886" z3="-0.894561">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.337446" y3="-1.755918" z3="-1.909703">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.227168" y3="-2.518777" z3="-0.86726">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.804712" y3="-0.415293" z3="-0.592123">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.747385" y3="-4.299973" z3="0.900512">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.234786" y3="-4.115994" z3="1.54055">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.461225" y3="-4.033478" z3="-0.09529">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.5777" y3="3.24073" z3="-0.118752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.505307" y3="2.063109" z3="0.863319">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.998822" y3="3.236939" z3="-1.426013">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.671545" y3="1.655166" z3="-1.788753">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.360129" y3="2.830212" z3="-0.291387">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.175071" y3="2.57901" z3="1.465499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.508656" y3="-1.596414" z3="-1.379203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.041597" y3="-0.413395" z3="-2.547428">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.251075" y3="-0.11323" z3="-3.079001">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.117841" y3="-1.82088" z3="0.885417">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.503636" y3="-2.131586" z3="1.934596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.761868" y3="-2.564592" z3="0.941088">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.651951" y3="-0.599826" z3="-2.768328">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.417259" y3="-1.837408" z3="-0.7418">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.421734" y3="-2.213722" z3="-2.895037">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.293785" y3="-1.816734" z3="-1.58653">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.321,1.4876,-1.5433;-4.835,.5591,.3955;.8273,.0655,2.5015;-1.3154,2.0871,3.6957;4.4123,1.363,-.3049;-3.2364,1.1106,3.0004;-6.1088,-3.7637,-.9304;-6.9064,-1.8129,-.0839;-.2416,1.7323,1.1642;2.3571,.3751,-.2887;-5.6819,-.3497,-2.0687;-6.0706,1.7691,-1.7803;4.8695,-3.7806,.8092;-6.3041,.1039,-3.1796;-6.5135,1.3716,-2.9976;.4781,2.1563,-.0336;1.7266,1.3863,.5072;.7637,.896,1.6227;-1.6326,1.7891,1.3693;-2.4407,2.0319,.3102;-1.9775,2.1825,-1.1263;-3.9242,2.1944,.4815;3.6789,.4386,-.6392;-2.1048,1.6407,2.8312;4.1649,-.7302,-1.5059;5.6206,-1.0781,-1.2675;6.0587,-1.7852,-.1276;6.578,-.6608,-2.2001;-5.5566,.6828,-1.2053;5.1036,-2.2792,.9309;7.4261,-2.0422,.0487;7.9343,-.9341,-2.0256;8.3636,-1.6279,-.8946;-5.3374,-1.7559,-1.9097;-6.2272,-2.5188,-.8673;1.8047,-.4153,-.5921;5.7474,-4.3,.9005;4.2348,-4.116,1.5406;4.4612,-4.0335,-.0953;.5777,3.2407,-.1188;2.5053,2.0631,.8633;-1.9988,3.2369,-1.426;-2.6715,1.6552,-1.7888;-4.3601,2.8302,-.2914;-4.1751,2.579,1.4655;3.5087,-1.5964,-1.3792;4.0416,-.4134,-2.5474;6.2511,-.1132,-3.079;4.1178,-1.8209,.8854;5.5036,-2.1316,1.9346;7.7619,-2.5646,.9411;8.652,-.5998,-2.7683;9.4173,-1.8374,-.7418;-5.4217,-2.2137,-2.895;-4.2938,-1.8167,-1.5865;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1751074 0.0397369 0.0379160</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.322686" y3="1.49005" z3="-1.541886">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.832008" y3="0.554115" z3="0.396339">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.830054" y3="0.06579" z3="2.501704">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.313873" y3="2.082341" z3="3.698763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.411814" y3="1.362654" z3="-0.30848">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.2326" y3="1.101607" z3="3.002886">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.089605" y3="-3.767049" z3="-0.946422">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.895401" y3="-1.82268" z3="-0.092839">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.240927" y3="1.732346" z3="1.165805">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.356145" y3="0.376019" z3="-0.290136">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.676827" y3="-0.347117" z3="-2.071356">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.075157" y3="1.768521" z3="-1.772451">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.862698" y3="-3.770334" z3="0.821656">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.302406" y3="0.108792" z3="-3.17945">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.517456" y3="1.374713" z3="-2.991163">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.477708" y3="2.15747" z3="-0.032249">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.726874" y3="1.387202" z3="0.506682">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.76523" y3="0.896234" z3="1.622998">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.631654" y3="1.788004" z3="1.372094">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.440775" y3="2.031875" z3="0.313997">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.978821" y3="2.184447" z3="-1.122697">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.924461" y3="2.191106" z3="0.486661">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.677553" y3="0.438754" z3="-0.642141">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.102667" y3="1.635578" z3="2.834026">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.161907" y3="-0.731189" z3="-1.508058">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.61745" y3="-1.080746" z3="-1.270777">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.056156" y3="-1.783057" z3="-0.128172">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.573905" y3="-0.670132" z3="-2.207271">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.555633" y3="0.68182" z3="-1.203204">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.101775" y3="-2.26887" z3="0.934684">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.423339" y3="-2.042056" z3="0.04693">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.929874" y3="-0.945544" z3="-2.034097">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.359877" y3="-1.634555" z3="-0.900307">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.326901" y3="-1.752534" z3="-1.91857">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.213346" y3="-2.522899" z3="-0.878782">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.803472" y3="-0.414782" z3="-0.59198">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.738734" y3="-4.292359" z3="0.914873">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.227643" y3="-4.099545" z3="1.555497">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.452515" y3="-4.026786" z3="-0.080912">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.57717" y3="3.241968" z3="-0.116498">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.506234" y3="2.063515" z3="0.862342">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.000407" y3="3.239259" z3="-1.421071">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.673337" y3="1.657849" z3="-1.785211">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.362158" y3="2.82836" z3="-0.28402">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.175555" y3="2.572113" z3="1.472014">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.505088" y3="-1.596637" z3="-1.379335">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.037535" y3="-0.415912" z3="-2.549895">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.246412" y3="-0.126233" z3="-3.088279">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.117256" y3="-1.807635" z3="0.889177">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.504437" y3="-2.11719" z3="1.93672">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.759923" y3="-2.560223" z3="0.941485">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.64684" y3="-0.616693" z3="-2.779872">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.41335" y3="-1.845631" z3="-0.748515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.409787" y3="-2.206628" z3="-2.905762">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.282869" y3="-1.810697" z3="-1.596136">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3227,1.4901,-1.5419;-4.832,.5541,.3963;.8301,.0658,2.5017;-1.3139,2.0823,3.6988;4.4118,1.3627,-.3085;-3.2326,1.1016,3.0029;-6.0896,-3.767,-.9464;-6.8954,-1.8227,-.0928;-.2409,1.7323,1.1658;2.3561,.376,-.2901;-5.6768,-.3471,-2.0714;-6.0752,1.7685,-1.7725;4.8627,-3.7703,.8217;-6.3024,.1088,-3.1795;-6.5175,1.3747,-2.9912;.4777,2.1575,-.0322;1.7269,1.3872,.5067;.7652,.8962,1.623;-1.6317,1.788,1.3721;-2.4408,2.0319,.314;-1.9788,2.1844,-1.1227;-3.9245,2.1911,.4867;3.6776,.4388,-.6421;-2.1027,1.6356,2.834;4.1619,-.7312,-1.5081;5.6174,-1.0807,-1.2708;6.0562,-1.7831,-.1282;6.5739,-.6701,-2.2073;-5.5556,.6818,-1.2032;5.1018,-2.2689,.9347;7.4233,-2.0421,.0469;7.9299,-.9455,-2.0341;8.3599,-1.6346,-.9003;-5.3269,-1.7525,-1.9186;-6.2133,-2.5229,-.8788;1.8035,-.4148,-.592;5.7387,-4.2924,.9149;4.2276,-4.0995,1.5555;4.4525,-4.0268,-.0809;.5772,3.242,-.1165;2.5062,2.0635,.8623;-2.0004,3.2393,-1.4211;-2.6733,1.6578,-1.7852;-4.3622,2.8284,-.284;-4.1756,2.5721,1.472;3.5051,-1.5966,-1.3793;4.0375,-.4159,-2.5499;6.2464,-.1262,-3.0883;4.1173,-1.8076,.8892;5.5044,-2.1172,1.9367;7.7599,-2.5602,.9415;8.6468,-.6167,-2.7799;9.4133,-1.8456,-.7485;-5.4098,-2.2066,-2.9058;-4.2829,-1.8107,-1.5961;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1750067 0.0397889 0.0379543</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.322123" y3="1.486315" z3="-1.542924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.830131" y3="0.5509" z3="0.395816">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.835897" y3="0.072266" z3="2.503239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.31143" y3="2.088885" z3="3.697446">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.414976" y3="1.364234" z3="-0.311106">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.227692" y3="1.101538" z3="3.004149">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.096223" y3="-3.768111" z3="-0.948014">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.898695" y3="-1.824055" z3="-0.090795">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.238477" y3="1.733971" z3="1.164126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.358725" y3="0.377995" z3="-0.291824">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.683447" y3="-0.347071" z3="-2.070244">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.078919" y3="1.768482" z3="-1.768137">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.859996" y3="-3.771574" z3="0.816335">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.311973" y3="0.110562" z3="-3.176112">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.525049" y3="1.376463" z3="-2.986067">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.478756" y3="2.157606" z3="-0.035344">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.729185" y3="1.389838" z3="0.504066">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.769248" y3="0.900377" z3="1.622492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.629046" y3="1.788261" z3="1.371421">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.439296" y3="2.029095" z3="0.313499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.978526" y3="2.180121" z3="-1.123805">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.922907" y3="2.188192" z3="0.487164">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.680346" y3="0.440033" z3="-0.643403">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.099174" y3="1.637969" z3="2.833882">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.164676" y3="-0.730571" z3="-1.508221">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.620028" y3="-1.080047" z3="-1.269026">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.057078" y3="-1.783064" z3="-0.126245">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.577874" y3="-0.668509" z3="-2.203689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.558454" y3="0.680878" z3="-1.201484">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.101046" y3="-2.270898" z3="0.934209">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.423991" y3="-2.041866" z3="0.05093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.933625" y3="-0.943673" z3="-2.028475">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.361968" y3="-1.633307" z3="-0.894432">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.334311" y3="-1.752988" z3="-1.920029">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.218797" y3="-2.523902" z3="-0.878964">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.806102" y3="-0.413064" z3="-0.593034">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.735454" y3="-4.29498" z3="0.907605">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.224627" y3="-4.102037" z3="1.549371">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.449031" y3="-4.024705" z3="-0.086861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.57674" y3="3.242062" z3="-0.121788">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.507991" y3="2.067947" z3="0.857535">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.001041" y3="3.234471" z3="-1.423654">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.673088" y3="1.651988" z3="-1.785024">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.360988" y3="2.825729" z3="-0.283019">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.173182" y3="2.568531" z3="1.472969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.507303" y3="-1.595865" z3="-1.380144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.041973" y3="-0.415265" z3="-2.550213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.251697" y3="-0.123894" z3="-3.084751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.117118" y3="-1.808471" z3="0.888819">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.50285" y3="-2.123071" z3="1.93717">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.759057" y3="-2.560662" z3="0.945637">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.65174" y3="-0.61412" z3="-2.772832">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.415266" y3="-1.844135" z3="-0.741074">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.420185" y3="-2.205655" z3="-2.907601">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.28956" y3="-1.81236" z3="-1.600209">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3221,1.4863,-1.5429;-4.8301,.5509,.3958;.8359,.0723,2.5032;-1.3114,2.0889,3.6974;4.415,1.3642,-.3111;-3.2277,1.1015,3.0041;-6.0962,-3.7681,-.948;-6.8987,-1.8241,-.0908;-.2385,1.734,1.1641;2.3587,.378,-.2918;-5.6834,-.3471,-2.0702;-6.0789,1.7685,-1.7681;4.86,-3.7716,.8163;-6.312,.1106,-3.1761;-6.525,1.3765,-2.9861;.4788,2.1576,-.0353;1.7292,1.3898,.5041;.7692,.9004,1.6225;-1.629,1.7883,1.3714;-2.4393,2.0291,.3135;-1.9785,2.1801,-1.1238;-3.9229,2.1882,.4872;3.6803,.44,-.6434;-2.0992,1.638,2.8339;4.1647,-.7306,-1.5082;5.62,-1.08,-1.269;6.0571,-1.7831,-.1262;6.5779,-.6685,-2.2037;-5.5585,.6809,-1.2015;5.101,-2.2709,.9342;7.424,-2.0419,.0509;7.9336,-.9437,-2.0285;8.362,-1.6333,-.8944;-5.3343,-1.753,-1.92;-6.2188,-2.5239,-.879;1.8061,-.4131,-.593;5.7355,-4.295,.9076;4.2246,-4.102,1.5494;4.449,-4.0247,-.0869;.5767,3.2421,-.1218;2.508,2.0679,.8575;-2.001,3.2345,-1.4237;-2.6731,1.652,-1.785;-4.361,2.8257,-.283;-4.1732,2.5685,1.473;3.5073,-1.5959,-1.3801;4.042,-.4153,-2.5502;6.2517,-.1239,-3.0848;4.1171,-1.8085,.8888;5.5028,-2.1231,1.9372;7.7591,-2.5607,.9456;8.6517,-.6141,-2.7728;9.4153,-1.8441,-.7411;-5.4202,-2.2057,-2.9076;-4.2896,-1.8124,-1.6002;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1750481 0.0397603 0.0379234</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.322859" y3="1.483223" z3="-1.543889">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.832482" y3="0.55292" z3="0.39621">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.834352" y3="0.068132" z3="2.501732">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.310733" y3="2.087263" z3="3.69607">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.413104" y3="1.363375" z3="-0.311874">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.228939" y3="1.102853" z3="3.003899">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.102172" y3="-3.765065" z3="-0.94676">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.90384" y3="-1.820255" z3="-0.090315">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.239122" y3="1.730969" z3="1.163099">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.358447" y3="0.374472" z3="-0.292101">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.686824" y3="-0.344582" z3="-2.069502">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.07979" y3="1.77168" z3="-1.76782">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.865411" y3="-3.772487" z3="0.816789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.314607" y3="0.113563" z3="-3.175467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.52641" y3="1.379748" z3="-2.985553">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.4783" y3="2.154232" z3="-0.036348">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.728489" y3="1.386357" z3="0.503387">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.768067" y3="0.896676" z3="1.621332">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.629642" y3="1.786316" z3="1.370361">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.439655" y3="2.027869" z3="0.312404">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.978793" y3="2.178256" z3="-1.124891">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.922948" y3="2.188911" z3="0.486141">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.679869" y3="0.438038" z3="-0.64404">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.099562" y3="1.6373" z3="2.833012">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.165808" y3="-0.732303" z3="-1.508426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.621444" y3="-1.080102" z3="-1.268641">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.059188" y3="-1.782204" z3="-0.125501">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.578995" y3="-0.667671" z3="-2.203195">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.560855" y3="0.683453" z3="-1.200956">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.103803" y3="-2.271405" z3="0.93484">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.426434" y3="-2.038865" z3="0.052191">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.935086" y3="-0.940856" z3="-2.027494">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.364107" y3="-1.629396" z3="-0.893062">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.338827" y3="-1.750736" z3="-1.919045">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.224078" y3="-2.520775" z3="-0.877999">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.806345" y3="-0.417056" z3="-0.593045">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741699" y3="-4.294396" z3="0.908617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.23019" y3="-4.104229" z3="1.549335">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.455639" y3="-4.026273" z3="-0.086731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.5767" y3="3.238654" z3="-0.12282">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.507241" y3="2.064398" z3="0.857066">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.000502" y3="3.232576" z3="-1.424906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.673779" y3="1.650603" z3="-1.786071">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.360445" y3="2.826456" z3="-0.284428">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.172853" y3="2.570389" z3="1.471596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.509383" y3="-1.598232" z3="-1.38042">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.043162" y3="-0.417399" z3="-2.550553">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.252303" y3="-0.123879" z3="-3.084577">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.11917" y3="-1.810495" z3="0.88931">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.50515" y3="-2.122638" z3="1.937848">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.761913" y3="-2.556963" z3="0.947151">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.652948" y3="-0.610488" z3="-2.771734">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.417666" y3="-1.838603" z3="-0.739272">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.424898" y3="-2.203595" z3="-2.906513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.294146" y3="-1.810938" z3="-1.599101">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3229,1.4832,-1.5439;-4.8325,.5529,.3962;.8344,.0681,2.5017;-1.3107,2.0873,3.6961;4.4131,1.3634,-.3119;-3.2289,1.1029,3.0039;-6.1022,-3.7651,-.9468;-6.9038,-1.8203,-.0903;-.2391,1.731,1.1631;2.3584,.3745,-.2921;-5.6868,-.3446,-2.0695;-6.0798,1.7717,-1.7678;4.8654,-3.7725,.8168;-6.3146,.1136,-3.1755;-6.5264,1.3797,-2.9856;.4783,2.1542,-.0363;1.7285,1.3864,.5034;.7681,.8967,1.6213;-1.6296,1.7863,1.3704;-2.4397,2.0279,.3124;-1.9788,2.1783,-1.1249;-3.9229,2.1889,.4861;3.6799,.438,-.644;-2.0996,1.6373,2.833;4.1658,-.7323,-1.5084;5.6214,-1.0801,-1.2686;6.0592,-1.7822,-.1255;6.579,-.6677,-2.2032;-5.5609,.6835,-1.201;5.1038,-2.2714,.9348;7.4264,-2.0389,.0522;7.9351,-.9409,-2.0275;8.3641,-1.6294,-.8931;-5.3388,-1.7507,-1.919;-6.2241,-2.5208,-.878;1.8063,-.4171,-.593;5.7417,-4.2944,.9086;4.2302,-4.1042,1.5493;4.4556,-4.0263,-.0867;.5767,3.2387,-.1228;2.5072,2.0644,.8571;-2.0005,3.2326,-1.4249;-2.6738,1.6506,-1.7861;-4.3604,2.8265,-.2844;-4.1729,2.5704,1.4716;3.5094,-1.5982,-1.3804;4.0432,-.4174,-2.5506;6.2523,-.1239,-3.0846;4.1192,-1.8105,.8893;5.5052,-2.1226,1.9378;7.7619,-2.557,.9472;8.6529,-.6105,-2.7717;9.4177,-1.8386,-.7393;-5.4249,-2.2036,-2.9065;-4.2941,-1.8109,-1.5991;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1752352 0.0397314 0.0379054</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.323332" y3="1.483995" z3="-1.543621">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.831485" y3="0.551063" z3="0.396527">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.836325" y3="0.067329" z3="2.501032">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.309517" y3="2.085432" z3="3.697127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.413318" y3="1.364004" z3="-0.315239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.226767" y3="1.099047" z3="3.005202">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.097144" y3="-3.7663" z3="-0.952546">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.901584" y3="-1.823705" z3="-0.093717">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.238405" y3="1.730306" z3="1.163533">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.358633" y3="0.374784" z3="-0.29322">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.685663" y3="-0.343662" z3="-2.070161">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.081242" y3="1.771617" z3="-1.765018">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.862016" y3="-3.76812" z3="0.821223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.31456" y3="0.115459" z3="-3.17512">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.528027" y3="1.381037" z3="-2.983126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.47838" y3="2.154315" z3="-0.036086">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.728954" y3="1.386426" z3="0.502729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.769384" y3="0.896307" z3="1.621116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.628886" y3="1.785002" z3="1.37141">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.439431" y3="2.027063" z3="0.313983">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.979177" y3="2.178619" z3="-1.123412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.922715" y3="2.187433" z3="0.48829">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.679871" y3="0.438304" z3="-0.645978">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.098088" y3="1.634844" z3="2.834162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.165243" y3="-0.73252" z3="-1.510069">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.620694" y3="-1.08101" z3="-1.269959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.058242" y3="-1.781224" z3="-0.125561">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.578301" y3="-0.670933" z3="-2.205492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.560555" y3="0.683186" z3="-1.200154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.102709" y3="-2.267142" z3="0.936221">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.425362" y3="-2.038654" z3="0.052155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.934236" y3="-0.944806" z3="-2.029662">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.363068" y3="-1.631618" z3="-0.894121">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.336218" y3="-1.749708" z3="-1.921958">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.220672" y3="-2.522279" z3="-0.882114">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.806609" y3="-0.417143" z3="-0.593256">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.737663" y3="-4.291003" z3="0.913539">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.22676" y3="-4.097412" z3="1.554842">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.451318" y3="-4.023193" z3="-0.08153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.576504" y3="3.238808" z3="-0.122043">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.507723" y3="2.064599" z3="0.856129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.001001" y3="3.233182" z3="-1.422573">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.674387" y3="1.651472" z3="-1.784739">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.360624" y3="2.825742" z3="-0.28144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.172472" y3="2.567675" z3="1.474257">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.508234" y3="-1.597993" z3="-1.38186">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.042785" y3="-0.418075" z3="-2.552346">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.251805" y3="-0.128566" z3="-3.087819">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.118668" y3="-1.805026" z3="0.890231">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.50469" y3="-2.117151" z3="1.93881">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.760844" y3="-2.555135" z3="0.948052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.652133" y3="-0.616305" z3="-2.774697">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.416531" y3="-1.841225" z3="-0.740231">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.421934" y3="-2.200979" z3="-2.910182">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.291469" y3="-1.809373" z3="-1.602182">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3233,1.484,-1.5436;-4.8315,.5511,.3965;.8363,.0673,2.501;-1.3095,2.0854,3.6971;4.4133,1.364,-.3152;-3.2268,1.099,3.0052;-6.0971,-3.7663,-.9525;-6.9016,-1.8237,-.0937;-.2384,1.7303,1.1635;2.3586,.3748,-.2932;-5.6857,-.3437,-2.0702;-6.0812,1.7716,-1.765;4.862,-3.7681,.8212;-6.3146,.1155,-3.1751;-6.528,1.381,-2.9831;.4784,2.1543,-.0361;1.729,1.3864,.5027;.7694,.8963,1.6211;-1.6289,1.785,1.3714;-2.4394,2.0271,.314;-1.9792,2.1786,-1.1234;-3.9227,2.1874,.4883;3.6799,.4383,-.646;-2.0981,1.6348,2.8342;4.1652,-.7325,-1.5101;5.6207,-1.081,-1.27;6.0582,-1.7812,-.1256;6.5783,-.6709,-2.2055;-5.5606,.6832,-1.2002;5.1027,-2.2671,.9362;7.4254,-2.0387,.0522;7.9342,-.9448,-2.0297;8.3631,-1.6316,-.8941;-5.3362,-1.7497,-1.922;-6.2207,-2.5223,-.8821;1.8066,-.4171,-.5933;5.7377,-4.291,.9135;4.2268,-4.0974,1.5548;4.4513,-4.0232,-.0815;.5765,3.2388,-.122;2.5077,2.0646,.8561;-2.001,3.2332,-1.4226;-2.6744,1.6515,-1.7847;-4.3606,2.8257,-.2814;-4.1725,2.5677,1.4743;3.5082,-1.598,-1.3819;4.0428,-.4181,-2.5523;6.2518,-.1286,-3.0878;4.1187,-1.805,.8902;5.5047,-2.1172,1.9388;7.7608,-2.5551,.9481;8.6521,-.6163,-2.7747;9.4165,-1.8412,-.7402;-5.4219,-2.201,-2.9102;-4.2915,-1.8094,-1.6022;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1752161 0.0397452 0.0379162</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.322184" y3="1.48539" z3="-1.542393">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.831368" y3="0.550909" z3="0.395878">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.835504" y3="0.067978" z3="2.502767">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.312044" y3="2.086416" z3="3.69786">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.413325" y3="1.364307" z3="-0.312712">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.227671" y3="1.09772" z3="3.004624">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.097706" y3="-3.766537" z3="-0.951526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.902237" y3="-1.823009" z3="-0.09492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.238764" y3="1.730929" z3="1.164896">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.358467" y3="0.375682" z3="-0.291275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.683477" y3="-0.344868" z3="-2.071223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.078455" y3="1.770733" z3="-1.767606">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.861973" y3="-3.767564" z3="0.822141">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.311151" y3="0.11385" z3="-3.177006">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.524166" y3="1.379665" z3="-2.985942">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.478613" y3="2.155356" z3="-0.0342">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.728947" y3="1.387255" z3="0.504884">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.768888" y3="0.896999" z3="1.622859">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.629365" y3="1.785343" z3="1.371988">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.439395" y3="2.027332" z3="0.314177">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.978463" y3="2.179339" z3="-1.122904">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.922784" y3="2.187387" z3="0.487964">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.679601" y3="0.43919" z3="-0.644389">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.099477" y3="1.634816" z3="2.834403">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.164462" y3="-0.731086" z3="-1.50949">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.619852" y3="-1.080496" z3="-1.27037">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.057776" y3="-1.781258" z3="-0.126436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.577004" y3="-0.671269" z3="-2.206724">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.558824" y3="0.682398" z3="-1.201606">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.102846" y3="-2.266525" z3="0.936167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.424815" y3="-2.039914" z3="0.050036">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.932854" y3="-0.946396" z3="-2.032143">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.362058" y3="-1.633697" z3="-0.897046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.335015" y3="-1.7510" z3="-1.92173">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.220882" y3="-2.522424" z3="-0.882184">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.806122" y3="-0.415748" z3="-0.59206">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.737577" y3="-4.290538" z3="0.914225">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.227143" y3="-4.096468" z3="1.556307">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.450639" y3="-4.023043" z3="-0.080195">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.576758" y3="3.239871" z3="-0.11978">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.507825" y3="2.065108" z3="0.858674">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.000602" y3="3.233933" z3="-1.421934">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.673116" y3="1.651979" z3="-1.784661">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.360639" y3="2.825618" z3="-0.281835">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.173046" y3="2.567528" z3="1.473855">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.507198" y3="-1.596448" z3="-1.381913">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.041873" y3="-0.415557" z3="-2.551425">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.250201" y3="-0.128546" z3="-3.08872">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.118835" y3="-1.804312" z3="0.890543">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.505501" y3="-2.115912" z3="1.938391">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.760607" y3="-2.556788" z3="0.945594">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.650379" y3="-0.618501" z3="-2.777802">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.415453" y3="-1.844345" z3="-0.744109">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.420015" y3="-2.202948" z3="-2.909713">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.290601" y3="-1.811044" z3="-1.600919">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3222,1.4854,-1.5424;-4.8314,.5509,.3959;.8355,.068,2.5028;-1.312,2.0864,3.6979;4.4133,1.3643,-.3127;-3.2277,1.0977,3.0046;-6.0977,-3.7665,-.9515;-6.9022,-1.823,-.0949;-.2388,1.7309,1.1649;2.3585,.3757,-.2913;-5.6835,-.3449,-2.0712;-6.0785,1.7707,-1.7676;4.862,-3.7676,.8221;-6.3112,.1139,-3.177;-6.5242,1.3797,-2.9859;.4786,2.1554,-.0342;1.7289,1.3873,.5049;.7689,.897,1.6229;-1.6294,1.7853,1.372;-2.4394,2.0273,.3142;-1.9785,2.1793,-1.1229;-3.9228,2.1874,.488;3.6796,.4392,-.6444;-2.0995,1.6348,2.8344;4.1645,-.7311,-1.5095;5.6199,-1.0805,-1.2704;6.0578,-1.7813,-.1264;6.577,-.6713,-2.2067;-5.5588,.6824,-1.2016;5.1028,-2.2665,.9362;7.4248,-2.0399,.05;7.9329,-.9464,-2.0321;8.3621,-1.6337,-.897;-5.335,-1.751,-1.9217;-6.2209,-2.5224,-.8822;1.8061,-.4157,-.5921;5.7376,-4.2905,.9142;4.2271,-4.0965,1.5563;4.4506,-4.023,-.0802;.5768,3.2399,-.1198;2.5078,2.0651,.8587;-2.0006,3.2339,-1.4219;-2.6731,1.652,-1.7847;-4.3606,2.8256,-.2818;-4.173,2.5675,1.4739;3.5072,-1.5964,-1.3819;4.0419,-.4156,-2.5514;6.2502,-.1285,-3.0887;4.1188,-1.8043,.8905;5.5055,-2.1159,1.9384;7.7606,-2.5568,.9456;8.6504,-.6185,-2.7778;9.4155,-1.8443,-.7441;-5.42,-2.2029,-2.9097;-4.2906,-1.811,-1.6009;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1751263 0.0397545 0.0379221</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.322207" y3="1.48649" z3="-1.536917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.834198" y3="0.552479" z3="0.390883">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.82673" y3="0.065134" z3="2.50934">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.320391" y3="2.089941" z3="3.701049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.411432" y3="1.356113" z3="-0.304093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.235642" y3="1.101407" z3="3.006621">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.072612" y3="-3.766781" z3="-0.976151">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.893171" y3="-1.833967" z3="-0.110786">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.243539" y3="1.730562" z3="1.170796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.353219" y3="0.372482" z3="-0.282133">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.685078" y3="-0.336317" z3="-2.079944">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.093149" y3="1.774884" z3="-1.764082">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.884747" y3="-3.766505" z3="0.84811">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.316801" y3="0.124239" z3="-3.182089">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.53818" y3="1.387677" z3="-2.983826">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.476378" y3="2.154947" z3="-0.026665">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.724955" y3="1.385186" z3="0.514058">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.762191" y3="0.894678" z3="1.629708">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.634652" y3="1.786903" z3="1.375262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.442339" y3="2.030319" z3="0.31586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.978533" y3="2.182237" z3="-1.120479">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.92621" y3="2.189419" z3="0.486019">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.675243" y3="0.432329" z3="-0.633515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.107078" y3="1.637707" z3="2.837159">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.155304" y3="-0.740917" z3="-1.497827">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.613159" y3="-1.086793" z3="-1.271497">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.062839" y3="-1.782883" z3="-0.129106">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.560823" y3="-0.680198" z3="-2.218499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.565586" y3="0.687042" z3="-1.204689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.119877" y3="-2.26365" z3="0.946251">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.431689" y3="-2.039638" z3="0.03474">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.91862" y3="-0.953508" z3="-2.056152">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.359434" y3="-1.636266" z3="-0.922913">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.326813" y3="-1.7409" z3="-1.938077">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.20558" y3="-2.524052" z3="-0.900858">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.799153" y3="-0.417639" z3="-0.583115">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.764412" y3="-4.283591" z3="0.936675">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.25946" y3="-4.091461" z3="1.592309">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.466112" y3="-4.032486" z3="-0.047758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.575535" y3="3.239422" z3="-0.11144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.504951" y3="2.061188" z3="0.868784">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.998993" y3="3.236982" z3="-1.419077">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.672326" y3="1.656109" z3="-1.784025">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.362601" y3="2.827717" z3="-0.284616">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.179152" y3="2.569737" z3="1.471209">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.501361" y3="-1.60672" z3="-1.358188">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.021017" y3="-0.431063" z3="-2.539988">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.225006" y3="-0.141432" z3="-3.099514">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.133417" y3="-1.8065" z3="0.907461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.532111" y3="-2.103623" z3="1.9431">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.776577" y3="-2.552844" z3="0.9289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.628541" y3="-0.627655" z3="-2.809923">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.414467" y3="-1.845237" z3="-0.779311">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.410836" y3="-2.188328" z3="-2.928162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.281445" y3="-1.795579" z3="-1.619536">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3222,1.4865,-1.5369;-4.8342,.5525,.3909;.8267,.0651,2.5093;-1.3204,2.0899,3.701;4.4114,1.3561,-.3041;-3.2356,1.1014,3.0066;-6.0726,-3.7668,-.9762;-6.8932,-1.834,-.1108;-.2435,1.7306,1.1708;2.3532,.3725,-.2821;-5.6851,-.3363,-2.0799;-6.0931,1.7749,-1.7641;4.8847,-3.7665,.8481;-6.3168,.1242,-3.1821;-6.5382,1.3877,-2.9838;.4764,2.1549,-.0267;1.725,1.3852,.5141;.7622,.8947,1.6297;-1.6347,1.7869,1.3753;-2.4423,2.0303,.3159;-1.9785,2.1822,-1.1205;-3.9262,2.1894,.486;3.6752,.4323,-.6335;-2.1071,1.6377,2.8372;4.1553,-.7409,-1.4978;5.6132,-1.0868,-1.2715;6.0628,-1.7829,-.1291;6.5608,-.6802,-2.2185;-5.5656,.687,-1.2047;5.1199,-2.2637,.9463;7.4317,-2.0396,.0347;7.9186,-.9535,-2.0562;8.3594,-1.6363,-.9229;-5.3268,-1.7409,-1.9381;-6.2056,-2.5241,-.9009;1.7992,-.4176,-.5831;5.7644,-4.2836,.9367;4.2595,-4.0915,1.5923;4.4661,-4.0325,-.0478;.5755,3.2394,-.1114;2.505,2.0612,.8688;-1.999,3.237,-1.4191;-2.6723,1.6561,-1.784;-4.3626,2.8277,-.2846;-4.1792,2.5697,1.4712;3.5014,-1.6067,-1.3582;4.021,-.4311,-2.54;6.225,-.1414,-3.0995;4.1334,-1.8065,.9075;5.5321,-2.1036,1.9431;7.7766,-2.5528,.9289;8.6285,-.6277,-2.8099;9.4145,-1.8452,-.7793;-5.4108,-2.1883,-2.9282;-4.2814,-1.7956,-1.6195;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1747887 0.0397560 0.0379003</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.31481" y3="1.512609" z3="-1.560615">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.841813" y3="0.588406" z3="0.397634">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.799696" y3="0.091081" z3="2.493689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.352642" y3="2.12725" z3="3.668346">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.409365" y3="1.376587" z3="-0.283324">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.266151" y3="1.145518" z3="2.962019">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.090047" y3="-3.764293" z3="-0.825365">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.879758" y3="-1.796579" z3="-0.010172">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.255518" y3="1.758205" z3="1.147903">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.354965" y3="0.393306" z3="-0.274093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.693121" y3="-0.37404" z3="-2.042486">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.069488" y3="1.754008" z3="-1.806392">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.901957" y3="-3.86595" z3="0.728843">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.315742" y3="0.056824" z3="-3.162927">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.51951" y3="1.32934" z3="-3.011752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.47378" y3="2.180152" z3="-0.044601">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.717547" y3="1.40903" z3="0.506825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.745979" y3="0.922118" z3="1.615452">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.648853" y3="1.812191" z3="1.342082">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.448667" y3="2.054179" z3="0.277677">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.974661" y3="2.206999" z3="-1.153932">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.933191" y3="2.223704" z3="0.438962">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.677893" y3="0.451314" z3="-0.618012">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.132665" y3="1.673222" z3="2.800379">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.167273" y3="-0.728371" z3="-1.471444">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.625835" y3="-1.063884" z3="-1.232716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.064329" y3="-1.82324" z3="-0.127116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.584574" y3="-0.593195" z3="-2.137686">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.559751" y3="0.678728" z3="-1.206358">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.109828" y3="-2.367734" z3="0.904933">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.431561" y3="-2.085076" z3="0.041635">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.941754" y3="-0.864491" z3="-1.968436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.370295" y3="-1.616127" z3="-0.874174">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.342151" y3="-1.775743" z3="-1.859077">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.21357" y3="-2.519348" z3="-0.789333">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.802171" y3="-0.395414" z3="-0.582113">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.794594" y3="-4.365302" z3="0.776123">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.291684" y3="-4.24098" z3="1.462057">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.477477" y3="-4.092669" z3="-0.174901">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.576394" y3="3.264135" z3="-0.131234">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.492235" y3="2.088342" z3="0.868399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.993013" y3="3.262612" z3="-1.450322">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.664026" y3="1.682247" z3="-1.823485">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.364702" y3="2.834126" z3="-0.356562">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.189615" y3="2.645946" z3="1.406643">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.513435" y3="-1.593832" z3="-1.326517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.036267" y3="-0.433303" z3="-2.51841">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.257395" y3="-0.010488" z3="-2.993674">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.118621" y3="-1.922406" z3="0.863097">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.495651" y3="-2.247028" z3="1.918603">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.76807" y3="-2.653335" z3="0.905578">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.661097" y3="-0.487555" z3="-2.688879">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.424705" y3="-1.826534" z3="-0.728013">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.437555" y3="-2.252533" z3="-2.834376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.293759" y3="-1.825939" z3="-1.549043">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3148,1.5126,-1.5606;-4.8418,.5884,.3976;.7997,.0911,2.4937;-1.3526,2.1273,3.6683;4.4094,1.3766,-.2833;-3.2662,1.1455,2.962;-6.09,-3.7643,-.8254;-6.8798,-1.7966,-.0102;-.2555,1.7582,1.1479;2.355,.3933,-.2741;-5.6931,-.374,-2.0425;-6.0695,1.754,-1.8064;4.902,-3.866,.7288;-6.3157,.0568,-3.1629;-6.5195,1.3293,-3.0118;.4738,2.1802,-.0446;1.7175,1.409,.5068;.746,.9221,1.6155;-1.6489,1.8122,1.3421;-2.4487,2.0542,.2777;-1.9747,2.207,-1.1539;-3.9332,2.2237,.439;3.6779,.4513,-.618;-2.1327,1.6732,2.8004;4.1673,-.7284,-1.4714;5.6258,-1.0639,-1.2327;6.0643,-1.8232,-.1271;6.5846,-.5932,-2.1377;-5.5598,.6787,-1.2064;5.1098,-2.3677,.9049;7.4316,-2.0851,.0416;7.9418,-.8645,-1.9684;8.3703,-1.6161,-.8742;-5.3422,-1.7757,-1.8591;-6.2136,-2.5193,-.7893;1.8022,-.3954,-.5821;5.7946,-4.3653,.7761;4.2917,-4.241,1.4621;4.4775,-4.0927,-.1749;.5764,3.2641,-.1312;2.4922,2.0883,.8684;-1.993,3.2626,-1.4503;-2.664,1.6822,-1.8235;-4.3647,2.8341,-.3566;-4.1896,2.6459,1.4066;3.5134,-1.5938,-1.3265;4.0363,-.4333,-2.5184;6.2574,-.0105,-2.9937;4.1186,-1.9224,.8631;5.4957,-2.247,1.9186;7.7681,-2.6533,.9056;8.6611,-.4876,-2.6889;9.4247,-1.8265,-.728;-5.4376,-2.2525,-2.8344;-4.2938,-1.8259,-1.549;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1749231 0.0396640 0.0378836</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.320685" y3="1.491498" z3="-1.548592">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.835023" y3="0.562659" z3="0.396692">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.82482" y3="0.074657" z3="2.49946">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.322293" y3="2.0985" z3="3.688398">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.412096" y3="1.367222" z3="-0.304158">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.239213" y3="1.114798" z3="2.99236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.098529" y3="-3.765378" z3="-0.912983">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.897008" y3="-1.814163" z3="-0.067937">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.243653" y3="1.738664" z3="1.158839">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.357517" y3="0.37985" z3="-0.287225">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.688486" y3="-0.353015" z3="-2.062075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.076966" y3="1.766716" z3="-1.778586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.875286" y3="-3.798791" z3="0.792711">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.314869" y3="0.097554" z3="-3.172129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.524514" y3="1.365611" z3="-2.992965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.477032" y3="2.161563" z3="-0.038716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.725476" y3="1.392806" z3="0.504238">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.76199" y3="0.90389" z3="1.619641">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.63496" y3="1.793617" z3="1.362514">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.442183" y3="2.035274" z3="0.302781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.977712" y3="2.186335" z3="-1.132963">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.92583" y3="2.198653" z3="0.473105">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.67935" y3="0.441889" z3="-0.63699">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.108698" y3="1.64739" z3="2.823991">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.166245" y3="-0.731053" z3="-1.49835">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.622718" y3="-1.0754" z3="-1.258875">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.06051" y3="-1.793575" z3="-0.125793">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.580734" y3="-0.646662" z3="-2.185476">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.560519" y3="0.682012" z3="-1.202472">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.105227" y3="-2.298221" z3="0.926885">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.427726" y3="-2.051734" z3="0.049596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.937112" y3="-0.919352" z3="-2.011467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.365832" y3="-1.625619" z3="-0.887755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.339579" y3="-1.757987" z3="-1.902436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.220955" y3="-2.520825" z3="-0.85333">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.805211" y3="-0.41091" z3="-0.5901">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.75623" y3="-4.314786" z3="0.872097">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.24684" y3="-4.142557" z3="1.525651">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.461478" y3="-4.04495" z3="-0.111029">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.576585" y3="3.245865" z3="-0.125249">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.503111" y3="2.07121" z3="0.860086">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.998504" y3="3.241014" z3="-1.431981">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.671161" y3="1.659474" z3="-1.796449">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.361707" y3="2.828737" z3="-0.304492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.17757" y3="2.591515" z3="1.453799">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.510558" y3="-1.596896" z3="-1.365617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.041229" y3="-0.421653" z3="-2.541859">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.254013" y3="-0.091967" z3="-3.060031">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.118735" y3="-1.841643" z3="0.882404">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.502204" y3="-2.157129" z3="1.932974">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.76336" y3="-2.583924" z3="0.936288">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.655495" y3="-0.575947" z3="-2.749315">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.419607" y3="-1.835213" z3="-0.735982">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.428213" y3="-2.217539" z3="-2.886587">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.293852" y3="-1.815291" z3="-1.585207">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3207,1.4915,-1.5486;-4.835,.5627,.3967;.8248,.0747,2.4995;-1.3223,2.0985,3.6884;4.4121,1.3672,-.3042;-3.2392,1.1148,2.9924;-6.0985,-3.7654,-.913;-6.897,-1.8142,-.0679;-.2437,1.7387,1.1588;2.3575,.3799,-.2872;-5.6885,-.353,-2.0621;-6.077,1.7667,-1.7786;4.8753,-3.7988,.7927;-6.3149,.0976,-3.1721;-6.5245,1.3656,-2.993;.477,2.1616,-.0387;1.7255,1.3928,.5042;.762,.9039,1.6196;-1.635,1.7936,1.3625;-2.4422,2.0353,.3028;-1.9777,2.1863,-1.133;-3.9258,2.1987,.4731;3.6793,.4419,-.637;-2.1087,1.6474,2.824;4.1662,-.7311,-1.4984;5.6227,-1.0754,-1.2589;6.0605,-1.7936,-.1258;6.5807,-.6467,-2.1855;-5.5605,.682,-1.2025;5.1052,-2.2982,.9269;7.4277,-2.0517,.0496;7.9371,-.9194,-2.0115;8.3658,-1.6256,-.8878;-5.3396,-1.758,-1.9024;-6.221,-2.5208,-.8533;1.8052,-.4109,-.5901;5.7562,-4.3148,.8721;4.2468,-4.1426,1.5257;4.4615,-4.045,-.111;.5766,3.2459,-.1252;2.5031,2.0712,.8601;-1.9985,3.241,-1.432;-2.6712,1.6595,-1.7964;-4.3617,2.8287,-.3045;-4.1776,2.5915,1.4538;3.5106,-1.5969,-1.3656;4.0412,-.4217,-2.5419;6.254,-.092,-3.06;4.1187,-1.8416,.8824;5.5022,-2.1571,1.933;7.7634,-2.5839,.9363;8.6555,-.5759,-2.7493;9.4196,-1.8352,-.736;-5.4282,-2.2175,-2.8866;-4.2939,-1.8153,-1.5852;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1751437 0.0397121 0.0379013</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.319272" y3="1.484832" z3="-1.543002">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.834626" y3="0.558407" z3="0.391849">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.826459" y3="0.065717" z3="2.503818">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.317667" y3="2.087589" z3="3.695151">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.412612" y3="1.361045" z3="-0.303521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.237634" y3="1.109824" z3="2.998804">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.117897" y3="-3.761047" z3="-0.933205">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.907115" y3="-1.809304" z3="-0.08106">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.241754" y3="1.731348" z3="1.164413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.3577" y3="0.372775" z3="-0.285944">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.689111" y3="-0.347248" z3="-2.070708">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.074408" y3="1.771892" z3="-1.779608">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.877439" y3="-3.781539" z3="0.812795">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.31424" y3="0.107949" z3="-3.179472">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.521446" y3="1.375781" z3="-2.995858">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.478856" y3="2.154439" z3="-0.033157">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.72685" y3="1.384516" z3="0.508863">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.763417" y3="0.895461" z3="1.624359">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.632752" y3="1.788268" z3="1.368558">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.440052" y3="2.030809" z3="0.308705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.975747" y3="2.180696" z3="-1.127558">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.923647" y3="2.193671" z3="0.478677">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.67925" y3="0.43638" z3="-0.637194">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.106059" y3="1.64036" z3="2.830241">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.164925" y3="-0.73307" z3="-1.502917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.621458" y3="-1.079306" z3="-1.266271">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.062648" y3="-1.784848" z3="-0.126623">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.576757" y3="-0.660608" z3="-2.20044">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.560252" y3="0.684436" z3="-1.206935">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.11067" y3="-2.279926" z3="0.934046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.43071" y3="-2.039673" z3="0.047462">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.9337" y3="-0.931562" z3="-2.028133">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.366018" y3="-1.624334" z3="-0.897532">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.346024" y3="-1.753936" z3="-1.913684">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.233021" y3="-2.515922" z3="-0.868207">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.805759" y3="-0.418406" z3="-0.588073">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.756135" y3="-4.300094" z3="0.901226">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.245112" y3="-4.117442" z3="1.545901">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.466582" y3="-4.034802" z3="-0.09038">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.57876" y3="3.238774" z3="-0.119002">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.505345" y3="2.061579" z3="0.865072">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.996163" y3="3.235022" z3="-1.427641">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.669585" y3="1.653445" z3="-1.790264">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.358921" y3="2.829616" z3="-0.294499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.175079" y3="2.578162" z3="1.462572">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.509101" y3="-1.599391" z3="-1.374377">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.03986" y3="-0.417964" z3="-2.544729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.247517" y3="-0.113742" z3="-3.078961">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.124468" y3="-1.822191" z3="0.891221">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.513338" y3="-2.132595" z3="1.936786">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.768614" y3="-2.561211" z3="0.939431">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.649644" y3="-0.59635" z3="-2.772055">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.420267" y3="-1.831996" z3="-0.74639">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.434543" y3="-2.211126" z3="-2.898931">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.301308" y3="-1.816372" z3="-1.594279">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3193,1.4848,-1.543;-4.8346,.5584,.3918;.8265,.0657,2.5038;-1.3177,2.0876,3.6952;4.4126,1.361,-.3035;-3.2376,1.1098,2.9988;-6.1179,-3.761,-.9332;-6.9071,-1.8093,-.0811;-.2418,1.7313,1.1644;2.3577,.3728,-.2859;-5.6891,-.3472,-2.0707;-6.0744,1.7719,-1.7796;4.8774,-3.7815,.8128;-6.3142,.1079,-3.1795;-6.5214,1.3758,-2.9959;.4789,2.1544,-.0332;1.7268,1.3845,.5089;.7634,.8955,1.6244;-1.6328,1.7883,1.3686;-2.4401,2.0308,.3087;-1.9757,2.1807,-1.1276;-3.9236,2.1937,.4787;3.6793,.4364,-.6372;-2.1061,1.6404,2.8302;4.1649,-.7331,-1.5029;5.6215,-1.0793,-1.2663;6.0626,-1.7848,-.1266;6.5768,-.6606,-2.2004;-5.5603,.6844,-1.2069;5.1107,-2.2799,.934;7.4307,-2.0397,.0475;7.9337,-.9316,-2.0281;8.366,-1.6243,-.8975;-5.346,-1.7539,-1.9137;-6.233,-2.5159,-.8682;1.8058,-.4184,-.5881;5.7561,-4.3001,.9012;4.2451,-4.1174,1.5459;4.4666,-4.0348,-.0904;.5788,3.2388,-.119;2.5053,2.0616,.8651;-1.9962,3.235,-1.4276;-2.6696,1.6534,-1.7903;-4.3589,2.8296,-.2945;-4.1751,2.5782,1.4626;3.5091,-1.5994,-1.3744;4.0399,-.418,-2.5447;6.2475,-.1137,-3.079;4.1245,-1.8222,.8912;5.5133,-2.1326,1.9368;7.7686,-2.5612,.9394;8.6496,-.5964,-2.7721;9.4203,-1.832,-.7464;-5.4345,-2.2111,-2.8989;-4.3013,-1.8164,-1.5943;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1752052 0.0396945 0.0378804</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.321904" y3="1.48248" z3="-1.543026">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.835963" y3="0.558403" z3="0.393541">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.82647" y3="0.065281" z3="2.503469">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.315578" y3="2.087934" z3="3.695333">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.411895" y3="1.359958" z3="-0.30434">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.236924" y3="1.111196" z3="3.001178">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.111315" y3="-3.761083" z3="-0.937674">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.906114" y3="-1.811718" z3="-0.085264">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.24225" y3="1.730468" z3="1.164029">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.356861" y3="0.371491" z3="-0.286926">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.687365" y3="-0.345113" z3="-2.070848">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.07601" y3="1.773048" z3="-1.777105">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.876688" y3="-3.779381" z3="0.815175">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.312305" y3="0.110766" z3="-3.179431">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.521521" y3="1.378046" z3="-2.994267">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.477535" y3="2.152878" z3="-0.034241">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.725959" y3="1.383489" z3="0.507566">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.76303" y3="0.89456" z3="1.623586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.633051" y3="1.787822" z3="1.369289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.441139" y3="2.029911" z3="0.310017">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.97796" y3="2.178905" z3="-1.126701">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.92451" y3="2.193284" z3="0.481204">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.678635" y3="0.435041" z3="-0.637666">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.105151" y3="1.640924" z3="2.831416">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.164617" y3="-0.734516" z3="-1.503108">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.621357" y3="-1.079923" z3="-1.266723">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.062889" y3="-1.78431" z3="-0.126486">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.576264" y3="-0.662508" z3="-2.201823">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.560544" y3="0.685575" z3="-1.205612">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.110853" y3="-2.277785" z3="0.934905">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.431027" y3="-2.038904" z3="0.047539">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.933247" y3="-0.93338" z3="-2.029679">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.365962" y3="-1.624707" z3="-0.898326">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.342437" y3="-1.751545" z3="-1.915445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.229307" y3="-2.516274" z3="-0.871914">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.804881" y3="-0.419618" z3="-0.589206">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.754807" y3="-4.298669" z3="0.904389">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.244035" y3="-4.114127" z3="1.548531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.465827" y3="-4.033108" z3="-0.087877">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.57723" y3="3.237182" z3="-0.120744">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.504385" y3="2.060953" z3="0.863107">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.998516" y3="3.233063" z3="-1.427381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.672394" y3="1.651367" z3="-1.78855">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.359901" y3="2.829767" z3="-0.291454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.175343" y3="2.577443" z3="1.465402">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.509567" y3="-1.601251" z3="-1.373543">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.038922" y3="-0.420071" z3="-2.545026">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.246698" y3="-0.116758" z3="-3.08092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.124842" y3="-1.819705" z3="0.891442">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.513386" y3="-2.129125" z3="1.937461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.769366" y3="-2.559066" z3="0.940227">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.648932" y3="-0.599175" z3="-2.774305">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.420251" y3="-1.832256" z3="-0.747323">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.429325" y3="-2.207476" z3="-2.90142">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.297941" y3="-1.812899" z3="-1.595112">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3219,1.4825,-1.543;-4.836,.5584,.3935;.8265,.0653,2.5035;-1.3156,2.0879,3.6953;4.4119,1.36,-.3043;-3.2369,1.1112,3.0012;-6.1113,-3.7611,-.9377;-6.9061,-1.8117,-.0853;-.2422,1.7305,1.164;2.3569,.3715,-.2869;-5.6874,-.3451,-2.0708;-6.076,1.773,-1.7771;4.8767,-3.7794,.8152;-6.3123,.1108,-3.1794;-6.5215,1.378,-2.9943;.4775,2.1529,-.0342;1.726,1.3835,.5076;.763,.8946,1.6236;-1.6331,1.7878,1.3693;-2.4411,2.0299,.31;-1.978,2.1789,-1.1267;-3.9245,2.1933,.4812;3.6786,.435,-.6377;-2.1052,1.6409,2.8314;4.1646,-.7345,-1.5031;5.6214,-1.0799,-1.2667;6.0629,-1.7843,-.1265;6.5763,-.6625,-2.2018;-5.5605,.6856,-1.2056;5.1109,-2.2778,.9349;7.431,-2.0389,.0475;7.9332,-.9334,-2.0297;8.366,-1.6247,-.8983;-5.3424,-1.7515,-1.9154;-6.2293,-2.5163,-.8719;1.8049,-.4196,-.5892;5.7548,-4.2987,.9044;4.244,-4.1141,1.5485;4.4658,-4.0331,-.0879;.5772,3.2372,-.1207;2.5044,2.061,.8631;-1.9985,3.2331,-1.4274;-2.6724,1.6514,-1.7886;-4.3599,2.8298,-.2915;-4.1753,2.5774,1.4654;3.5096,-1.6013,-1.3735;4.0389,-.4201,-2.545;6.2467,-.1168,-3.0809;4.1248,-1.8197,.8914;5.5134,-2.1291,1.9375;7.7694,-2.5591,.9402;8.6489,-.5992,-2.7743;9.4203,-1.8323,-.7473;-5.4293,-2.2075,-2.9014;-4.2979,-1.8129,-1.5951;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1752335 0.0397049 0.0378863</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.32118" y3="1.484145" z3="-1.543174">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.835115" y3="0.557783" z3="0.393328">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.827394" y3="0.066205" z3="2.503304">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.316059" y3="2.087635" z3="3.69532">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.412279" y3="1.361242" z3="-0.304956">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.236041" y3="1.108759" z3="3.000379">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.11094" y3="-3.761747" z3="-0.936221">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.90597" y3="-1.812175" z3="-0.084531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.241817" y3="1.731193" z3="1.164031">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.357162" y3="0.372936" z3="-0.287358">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.687435" y3="-0.346095" z3="-2.070599">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.075612" y3="1.772182" z3="-1.777222">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.875763" y3="-3.779715" z3="0.814589">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.312582" y3="0.109608" z3="-3.1791">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.521463" y3="1.376998" z3="-2.994192">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.477948" y3="2.154179" z3="-0.034059">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.72651" y3="1.384847" z3="0.507499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.76376" y3="0.89567" z3="1.623609">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.632661" y3="1.787892" z3="1.369103">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.440736" y3="2.030087" z3="0.309848">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.977479" y3="2.179887" z3="-1.126757">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.924145" y3="2.192964" z3="0.481071">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.678904" y3="0.436425" z3="-0.638267">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.104912" y3="1.639987" z3="2.831079">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.164728" y3="-0.733224" z3="-1.503662">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.621204" y3="-1.079478" z3="-1.266821">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.061884" y3="-1.784515" z3="-0.126643">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.57673" y3="-0.662335" z3="-2.201396">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.56012" y3="0.684779" z3="-1.205641">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.109271" y3="-2.278031" z3="0.934203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.429797" y3="-2.039856" z3="0.047913">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.933499" y3="-0.934014" z3="-2.028778">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.365358" y3="-1.625896" z3="-0.897441">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.342508" y3="-1.752497" z3="-1.914938">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.229125" y3="-2.516936" z3="-0.870959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.805031" y3="-0.418012" z3="-0.589779">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.754136" y3="-4.298547" z3="0.903897">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.243202" y3="-4.114692" z3="1.547936">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.465115" y3="-4.03368" z3="-0.088486">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.577434" y3="3.238536" z3="-0.120145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.505097" y3="2.062173" z3="0.862925">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.998338" y3="3.234163" z3="-1.427001">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.671655" y3="1.652412" z3="-1.788927">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.359778" y3="2.829443" z3="-0.291448">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.175039" y3="2.576866" z3="1.465351">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.509267" y3="-1.599724" z3="-1.374566">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.039682" y3="-0.418374" z3="-2.545525">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.247823" y3="-0.11611" z3="-3.080445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.123162" y3="-1.820268" z3="0.890184">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.511206" y3="-2.129138" z3="1.936955">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.767474" y3="-2.560486" z3="0.9406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.649676" y3="-0.600007" z3="-2.773018">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.41946" y3="-1.834133" z3="-0.746079">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.429671" y3="-2.208705" z3="-2.900765">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.297926" y3="-1.81382" z3="-1.594885">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3212,1.4841,-1.5432;-4.8351,.5578,.3933;.8274,.0662,2.5033;-1.3161,2.0876,3.6953;4.4123,1.3612,-.305;-3.236,1.1088,3.0004;-6.1109,-3.7617,-.9362;-6.906,-1.8122,-.0845;-.2418,1.7312,1.164;2.3572,.3729,-.2874;-5.6874,-.3461,-2.0706;-6.0756,1.7722,-1.7772;4.8758,-3.7797,.8146;-6.3126,.1096,-3.1791;-6.5215,1.377,-2.9942;.4779,2.1542,-.0341;1.7265,1.3848,.5075;.7638,.8957,1.6236;-1.6327,1.7879,1.3691;-2.4407,2.0301,.3098;-1.9775,2.1799,-1.1268;-3.9241,2.193,.4811;3.6789,.4364,-.6383;-2.1049,1.64,2.8311;4.1647,-.7332,-1.5037;5.6212,-1.0795,-1.2668;6.0619,-1.7845,-.1266;6.5767,-.6623,-2.2014;-5.5601,.6848,-1.2056;5.1093,-2.278,.9342;7.4298,-2.0399,.0479;7.9335,-.934,-2.0288;8.3654,-1.6259,-.8974;-5.3425,-1.7525,-1.9149;-6.2291,-2.5169,-.871;1.805,-.418,-.5898;5.7541,-4.2985,.9039;4.2432,-4.1147,1.5479;4.4651,-4.0337,-.0885;.5774,3.2385,-.1201;2.5051,2.0622,.8629;-1.9983,3.2342,-1.427;-2.6717,1.6524,-1.7889;-4.3598,2.8294,-.2914;-4.175,2.5769,1.4654;3.5093,-1.5997,-1.3746;4.0397,-.4184,-2.5455;6.2478,-.1161,-3.0804;4.1232,-1.8203,.8902;5.5112,-2.1291,1.937;7.7675,-2.5605,.9406;8.6497,-.6,-2.773;9.4195,-1.8341,-.7461;-5.4297,-2.2087,-2.9008;-4.2979,-1.8138,-1.5949;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1752056 0.0397080 0.0378903</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.319386" y3="1.484863" z3="-1.540092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.834643" y3="0.561778" z3="0.392478">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.823072" y3="0.077862" z3="2.511915">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.322073" y3="2.103221" z3="3.695533">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.409838" y3="1.365044" z3="-0.30159">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.241733" y3="1.124417" z3="2.999788">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.101818" y3="-3.764438" z3="-0.920597">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.90269" y3="-1.811419" z3="-0.082423">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.24373" y3="1.739536" z3="1.166569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.355407" y3="0.37566" z3="-0.278555">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.676956" y3="-0.353914" z3="-2.070305">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.067296" y3="1.765707" z3="-1.788546">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.875212" y3="-3.793904" z3="0.799744">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.297949" y3="0.096292" z3="-3.183433">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.508292" y3="1.364401" z3="-3.005243">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.47782" y3="2.158769" z3="-0.031761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.725237" y3="1.390143" z3="0.513367">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.7608" y3="0.904782" z3="1.62975">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.634898" y3="1.79707" z3="1.36947">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.441453" y3="2.035982" z3="0.308292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.976069" y3="2.182035" z3="-1.127927">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.925322" y3="2.197994" z3="0.476421">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.676221" y3="0.43962" z3="-0.632699">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.109649" y3="1.653822" z3="2.83111">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.160192" y3="-0.730082" z3="-1.498885">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.616691" y3="-1.077642" z3="-1.264306">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.057771" y3="-1.79094" z3="-0.129457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.571979" y3="-0.652975" z3="-2.195739">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.553712" y3="0.681159" z3="-1.209777">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.105814" y3="-2.292504" z3="0.928171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.425798" y3="-2.047164" z3="0.042926">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.928854" y3="-0.925267" z3="-2.025244">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.36109" y3="-1.62568" z3="-0.89928">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.331814" y3="-1.759343" z3="-1.906594">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.221823" y3="-2.519461" z3="-0.862409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.802575" y3="-0.415203" z3="-0.57995">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.754502" y3="-4.311649" z3="0.886108">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.243357" y3="-4.134413" z3="1.531134">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.465084" y3="-4.043331" z3="-0.104851">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.578183" y3="3.242817" z3="-0.120648">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.50407" y3="2.067784" z3="0.867674">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.9963" y3="3.235514" z3="-1.430963">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.669415" y3="1.652966" z3="-1.789718">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.360262" y3="2.831573" z3="-0.298865">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.178415" y3="2.584722" z3="1.459016">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.504082" y3="-1.595976" z3="-1.369686">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.034331" y3="-0.414261" z3="-2.540353">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.242661" y3="-0.100342" z3="-3.070628">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.119025" y3="-1.835977" z3="0.886663">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.50741" y3="-2.148853" z3="1.931826">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.763478" y3="-2.574794" z3="0.931469">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.644842" y3="-0.585395" z3="-2.76701">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.415257" y3="-1.834896" z3="-0.749703">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.414915" y3="-2.220446" z3="-2.890505">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.288388" y3="-1.818476" z3="-1.582341">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3194,1.4849,-1.5401;-4.8346,.5618,.3925;.8231,.0779,2.5119;-1.3221,2.1032,3.6955;4.4098,1.365,-.3016;-3.2417,1.1244,2.9998;-6.1018,-3.7644,-.9206;-6.9027,-1.8114,-.0824;-.2437,1.7395,1.1666;2.3554,.3757,-.2786;-5.677,-.3539,-2.0703;-6.0673,1.7657,-1.7885;4.8752,-3.7939,.7997;-6.2979,.0963,-3.1834;-6.5083,1.3644,-3.0052;.4778,2.1588,-.0318;1.7252,1.3901,.5134;.7608,.9048,1.6298;-1.6349,1.7971,1.3695;-2.4415,2.036,.3083;-1.9761,2.182,-1.1279;-3.9253,2.198,.4764;3.6762,.4396,-.6327;-2.1096,1.6538,2.8311;4.1602,-.7301,-1.4989;5.6167,-1.0776,-1.2643;6.0578,-1.7909,-.1295;6.572,-.653,-2.1957;-5.5537,.6812,-1.2098;5.1058,-2.2925,.9282;7.4258,-2.0472,.0429;7.9289,-.9253,-2.0252;8.3611,-1.6257,-.8993;-5.3318,-1.7593,-1.9066;-6.2218,-2.5195,-.8624;1.8026,-.4152,-.5799;5.7545,-4.3116,.8861;4.2434,-4.1344,1.5311;4.4651,-4.0433,-.1049;.5782,3.2428,-.1206;2.5041,2.0678,.8677;-1.9963,3.2355,-1.431;-2.6694,1.653,-1.7897;-4.3603,2.8316,-.2989;-4.1784,2.5847,1.459;3.5041,-1.596,-1.3697;4.0343,-.4143,-2.5404;6.2427,-.1003,-3.0706;4.119,-1.836,.8867;5.5074,-2.1489,1.9318;7.7635,-2.5748,.9315;8.6448,-.5854,-2.767;9.4153,-1.8349,-.7497;-5.4149,-2.2204,-2.8905;-4.2884,-1.8185,-1.5823;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1747284 0.0397685 0.0379245</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.321093" y3="1.4849" z3="-1.542898">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.834899" y3="0.558091" z3="0.393378">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.827354" y3="0.068038" z3="2.504043">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.31607" y3="2.089581" z3="3.695384">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.412101" y3="1.362223" z3="-0.305416">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.236111" y3="1.110553" z3="3.000909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.108835" y3="-3.762512" z3="-0.93393">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.904844" y3="-1.812471" z3="-0.084211">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.241921" y3="1.7326" z3="1.164271">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.357006" y3="0.373913" z3="-0.286658">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.685247" y3="-0.347641" z3="-2.070506">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.07417" y3="1.770735" z3="-1.778873">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.874218" y3="-3.781348" z3="0.812044">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.309681" y3="0.107113" z3="-3.179794">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.519056" y3="1.374568" z3="-2.995891">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.477914" y3="2.155301" z3="-0.033895">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.726468" y3="1.386109" z3="0.507914">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.763676" y3="0.897207" z3="1.624078">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.63279" y3="1.78918" z3="1.369269">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.440851" y3="2.031006" z3="0.309899">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.977479" y3="2.180574" z3="-1.126694">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.924328" y3="2.19352" z3="0.480863">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.678588" y3="0.437309" z3="-0.638143">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.104971" y3="1.641668" z3="2.831321">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.164036" y3="-0.732553" z3="-1.503482">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.620407" y3="-1.079211" z3="-1.266516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.060759" y3="-1.785385" z3="-0.126933">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.57621" y3="-0.66116" z3="-2.200423">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.5588" y3="0.683871" z3="-1.206175">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.107902" y3="-2.279828" z3="0.933275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.428604" y3="-2.041207" z3="0.04756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.932909" y3="-0.933123" z3="-2.027761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.364439" y3="-1.626337" z3="-0.897109">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.340125" y3="-1.75385" z3="-1.913577">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.227294" y3="-2.517682" z3="-0.869621">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.804833" y3="-0.417196" z3="-0.588557">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.752554" y3="-4.300286" z3="0.901211">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.241338" y3="-4.117029" z3="1.544783">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.463889" y3="-4.034363" z3="-0.091454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.577415" y3="3.239643" z3="-0.12021">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.505113" y3="2.063473" z3="0.863121">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.99836" y3="3.234812" z3="-1.427075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.671593" y3="1.652978" z3="-1.788831">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.360011" y3="2.829776" z3="-0.291824">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.175469" y3="2.577484" z3="1.465056">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.508228" y3="-1.5988" z3="-1.374468">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.039164" y3="-0.417707" z3="-2.54537">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.247554" y3="-0.114056" z3="-3.079017">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.121858" y3="-1.821899" z3="0.889466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.509679" y3="-2.132003" z3="1.93627">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.765946" y3="-2.563005" z3="0.939665">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.649291" y3="-0.598386" z3="-2.771477">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.418481" y3="-1.834882" z3="-0.745756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.426534" y3="-2.21081" z3="-2.899123">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.295752" y3="-1.814708" z3="-1.592766">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3211,1.4849,-1.5429;-4.8349,.5581,.3934;.8274,.068,2.504;-1.3161,2.0896,3.6954;4.4121,1.3622,-.3054;-3.2361,1.1106,3.0009;-6.1088,-3.7625,-.9339;-6.9048,-1.8125,-.0842;-.2419,1.7326,1.1643;2.357,.3739,-.2867;-5.6852,-.3476,-2.0705;-6.0742,1.7707,-1.7789;4.8742,-3.7813,.812;-6.3097,.1071,-3.1798;-6.5191,1.3746,-2.9959;.4779,2.1553,-.0339;1.7265,1.3861,.5079;.7637,.8972,1.6241;-1.6328,1.7892,1.3693;-2.4409,2.031,.3099;-1.9775,2.1806,-1.1267;-3.9243,2.1935,.4809;3.6786,.4373,-.6381;-2.105,1.6417,2.8313;4.164,-.7326,-1.5035;5.6204,-1.0792,-1.2665;6.0608,-1.7854,-.1269;6.5762,-.6612,-2.2004;-5.5588,.6839,-1.2062;5.1079,-2.2798,.9333;7.4286,-2.0412,.0476;7.9329,-.9331,-2.0278;8.3644,-1.6263,-.8971;-5.3401,-1.7538,-1.9136;-6.2273,-2.5177,-.8696;1.8048,-.4172,-.5886;5.7526,-4.3003,.9012;4.2413,-4.117,1.5448;4.4639,-4.0344,-.0915;.5774,3.2396,-.1202;2.5051,2.0635,.8631;-1.9984,3.2348,-1.4271;-2.6716,1.653,-1.7888;-4.36,2.8298,-.2918;-4.1755,2.5775,1.4651;3.5082,-1.5988,-1.3745;4.0392,-.4177,-2.5454;6.2476,-.1141,-3.079;4.1219,-1.8219,.8895;5.5097,-2.132,1.9363;7.7659,-2.563,.9397;8.6493,-.5984,-2.7715;9.4185,-1.8349,-.7458;-5.4265,-2.2108,-2.8991;-4.2958,-1.8147,-1.5928;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1751218 0.0397218 0.0378997</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.30658" y3="1.477142" z3="-1.541061">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.824861" y3="0.588637" z3="0.391578">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.817067" y3="0.15486" z3="2.547514">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.342846" y3="2.187819" z3="3.679108">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.388678" y3="1.406128" z3="-0.375202">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.249403" y3="1.183573" z3="2.982202">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.082804" y3="-3.774558" z3="-0.846688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.876657" y3="-1.810911" z3="-0.028016">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.244447" y3="1.785664" z3="1.16092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.354326" y3="0.382974" z3="-0.24034">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.665867" y3="-0.381612" z3="-2.052335">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.06218" y3="1.741782" z3="-1.813229">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.883266" y3="-3.896984" z3="0.687299">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.287591" y3="0.044655" z3="-3.174642">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.500454" y3="1.315596" z3="-3.022361">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.483429" y3="2.179864" z3="-0.042513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.727417" y3="1.420821" z3="0.523988">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.758853" y3="0.962935" z3="1.647862">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.636825" y3="1.84747" z3="1.354798">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.437232" y3="2.068255" z3="0.285135">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.964338" y3="2.184674" z3="-1.151642">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.921998" y3="2.229602" z3="0.442899">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.662415" y3="0.452922" z3="-0.636686">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.120647" y3="1.720923" z3="2.814827">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.142065" y3="-0.744032" z3="-1.468771">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.602552" y3="-1.07601" z3="-1.235038">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.04564" y3="-1.831474" z3="-0.129193">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.55905" y3="-0.586226" z3="-2.133023">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.545376" y3="0.670849" z3="-1.212429">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.092003" y3="-2.401143" z3="0.891998">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.417279" y3="-2.066773" z3="0.048062">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.919565" y3="-0.835268" z3="-1.95711">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.35412" y3="-1.579217" z3="-0.860086">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.317461" y3="-1.783373" z3="-1.863604">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.20123" y3="-2.52874" z3="-0.80379">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.806377" y3="-0.428534" z3="-0.491081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.769428" y3="-4.404493" z3="0.763312">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.24604" y3="-4.279726" z3="1.39305">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.491165" y3="-4.110057" z3="-0.234799">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.585663" y3="3.261887" z3="-0.152419">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.507822" y3="2.104718" z3="0.862255">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.982428" y3="3.23156" z3="-1.477125">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.654817" y3="1.642367" z3="-1.805588">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.354932" y3="2.846621" z3="-0.346771">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.179044" y3="2.635962" z3="1.416551">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.490886" y3="-1.607674" z3="-1.307387">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.006945" y3="-0.459565" z3="-2.518057">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.227674" y3="-0.001878" z3="-2.986107">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.100182" y3="-1.954856" z3="0.867344">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.484391" y3="-2.304784" z3="1.904683">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.755733" y3="-2.63142" z3="0.913395">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.636513" y3="-0.445563" z3="-2.673029">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.410869" y3="-1.772472" z3="-0.707437">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.403274" y3="-2.26169" z3="-2.838971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.272471" y3="-1.834439" z3="-1.542909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3066,1.4771,-1.5411;-4.8249,.5886,.3916;.8171,.1549,2.5475;-1.3428,2.1878,3.6791;4.3887,1.4061,-.3752;-3.2494,1.1836,2.9822;-6.0828,-3.7746,-.8467;-6.8767,-1.8109,-.028;-.2444,1.7857,1.1609;2.3543,.383,-.2403;-5.6659,-.3816,-2.0523;-6.0622,1.7418,-1.8132;4.8833,-3.897,.6873;-6.2876,.0447,-3.1746;-6.5005,1.3156,-3.0224;.4834,2.1799,-.0425;1.7274,1.4208,.524;.7589,.9629,1.6479;-1.6368,1.8475,1.3548;-2.4372,2.0683,.2851;-1.9643,2.1847,-1.1516;-3.922,2.2296,.4429;3.6624,.4529,-.6367;-2.1206,1.7209,2.8148;4.1421,-.744,-1.4688;5.6026,-1.076,-1.235;6.0456,-1.8315,-.1292;6.5591,-.5862,-2.133;-5.5454,.6708,-1.2124;5.092,-2.4011,.892;7.4173,-2.0668,.0481;7.9196,-.8353,-1.9571;8.3541,-1.5792,-.8601;-5.3175,-1.7834,-1.8636;-6.2012,-2.5287,-.8038;1.8064,-.4285,-.4911;5.7694,-4.4045,.7633;4.246,-4.2797,1.393;4.4912,-4.1101,-.2348;.5857,3.2619,-.1524;2.5078,2.1047,.8623;-1.9824,3.2316,-1.4771;-2.6548,1.6424,-1.8056;-4.3549,2.8466,-.3468;-4.179,2.636,1.4166;3.4909,-1.6077,-1.3074;4.0069,-.4596,-2.5181;6.2277,-.0019,-2.9861;4.1002,-1.9549,.8673;5.4844,-2.3048,1.9047;7.7557,-2.6314,.9134;8.6365,-.4456,-2.673;9.4109,-1.7725,-.7074;-5.4033,-2.2617,-2.839;-4.2725,-1.8344,-1.5429;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1732237 0.0398982 0.0379779</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.31868" y3="1.480847" z3="-1.543184">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.833948" y3="0.560435" z3="0.394037">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.829515" y3="0.076746" z3="2.508772">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.316056" y3="2.099774" z3="3.69305">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.409154" y3="1.372645" z3="-0.319596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.235297" y3="1.118022" z3="3.000147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.113741" y3="-3.762717" z3="-0.919816">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.907282" y3="-1.808749" z3="-0.07682">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.240646" y3="1.736019" z3="1.163162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.359412" y3="0.374185" z3="-0.281869">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.684088" y3="-0.352154" z3="-2.067315">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.06997" y3="1.767817" z3="-1.782968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.870713" y3="-3.792375" z3="0.794967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.307132" y3="0.09991" z3="-3.17849">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.514796" y3="1.368255" z3="-2.998906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.479433" y3="2.155836" z3="-0.035813">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.728331" y3="1.389064" z3="0.508853">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.765427" y3="0.902949" z3="1.626052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.631543" y3="1.793171" z3="1.367578">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.439153" y3="2.032189" z3="0.307217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.975317" y3="2.17755" z3="-1.129642">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.922647" y3="2.195576" z3="0.477317">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.678316" y3="0.442111" z3="-0.642277">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.104342" y3="1.649292" z3="2.829785">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.164345" y3="-0.730119" z3="-1.504233">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.620212" y3="-1.076531" z3="-1.263854">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.057434" y3="-1.788837" z3="-0.126885">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.578783" y3="-0.651118" z3="-2.191601">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.55664" y3="0.682061" z3="-1.206354">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.101635" y3="-2.291389" z3="0.926824">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.425088" y3="-2.043576" z3="0.050958">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.935265" y3="-0.921784" z3="-2.015501">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.36374" y3="-1.621323" z3="-0.887574">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.341448" y3="-1.75843" z3="-1.905524">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.230481" y3="-2.517519" z3="-0.859649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.808545" y3="-0.420147" z3="-0.577617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.749354" y3="-4.310524" z3="0.886011">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.234324" y3="-4.133522" z3="1.522107">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.465868" y3="-4.0404" z3="-0.112369">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.578282" y3="3.240003" z3="-0.125052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.506427" y3="2.068253" z3="0.861831">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.996377" y3="3.230863" z3="-1.433246">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.669143" y3="1.647801" z3="-1.790383">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.357948" y3="2.829785" z3="-0.297258">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.174215" y3="2.582446" z3="1.460293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.508026" y3="-1.5957" z3="-1.374674">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.041564" y3="-0.417112" z3="-2.546921">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.252436" y3="-0.09946" z3="-3.068189">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.115233" y3="-1.834276" z3="0.882544">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.499762" y3="-2.1495" z3="1.932139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.759881" y3="-2.570656" z3="0.940873">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.653857" y3="-0.581318" z3="-2.754473">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.417557" y3="-1.829097" z3="-0.733611">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.428009" y3="-2.218447" z3="-2.889635">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.297367" y3="-1.820034" z3="-1.58388">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3187,1.4808,-1.5432;-4.8339,.5604,.394;.8295,.0767,2.5088;-1.3161,2.0998,3.693;4.4092,1.3726,-.3196;-3.2353,1.118,3.0001;-6.1137,-3.7627,-.9198;-6.9073,-1.8087,-.0768;-.2406,1.736,1.1632;2.3594,.3742,-.2819;-5.6841,-.3522,-2.0673;-6.07,1.7678,-1.783;4.8707,-3.7924,.795;-6.3071,.0999,-3.1785;-6.5148,1.3683,-2.9989;.4794,2.1558,-.0358;1.7283,1.3891,.5089;.7654,.9029,1.6261;-1.6315,1.7932,1.3676;-2.4392,2.0322,.3072;-1.9753,2.1776,-1.1296;-3.9226,2.1956,.4773;3.6783,.4421,-.6423;-2.1043,1.6493,2.8298;4.1643,-.7301,-1.5042;5.6202,-1.0765,-1.2639;6.0574,-1.7888,-.1269;6.5788,-.6511,-2.1916;-5.5566,.6821,-1.2064;5.1016,-2.2914,.9268;7.4251,-2.0436,.051;7.9353,-.9218,-2.0155;8.3637,-1.6213,-.8876;-5.3414,-1.7584,-1.9055;-6.2305,-2.5175,-.8596;1.8085,-.4201,-.5776;5.7494,-4.3105,.886;4.2343,-4.1335,1.5221;4.4659,-4.0404,-.1124;.5783,3.24,-.1251;2.5064,2.0683,.8618;-1.9964,3.2309,-1.4332;-2.6691,1.6478,-1.7904;-4.3579,2.8298,-.2973;-4.1742,2.5824,1.4603;3.508,-1.5957,-1.3747;4.0416,-.4171,-2.5469;6.2524,-.0995,-3.0682;4.1152,-1.8343,.8825;5.4998,-2.1495,1.9321;7.7599,-2.5707,.9409;8.6539,-.5813,-2.7545;9.4176,-1.8291,-.7336;-5.428,-2.2184,-2.8896;-4.2974,-1.82,-1.5839;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1750321 0.0397324 0.0379078</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.319896" y3="1.483516" z3="-1.542971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.836553" y3="0.561079" z3="0.392721">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.825076" y3="0.069241" z3="2.505405">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.318492" y3="2.092709" z3="3.694028">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.411442" y3="1.363541" z3="-0.30402">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.239201" y3="1.115512" z3="2.998928">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.117452" y3="-3.760441" z3="-0.924624">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.908425" y3="-1.806426" z3="-0.079355">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.24281" y3="1.73341" z3="1.163976">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.357281" y3="0.373621" z3="-0.284019">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.685864" y3="-0.349445" z3="-2.069716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.070895" y3="1.770495" z3="-1.784136">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.878015" y3="-3.787993" z3="0.805547">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.308151" y3="0.103629" z3="-3.180901">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.515366" y3="1.371943" z3="-3.000523">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.477979" y3="2.155172" z3="-0.033907">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.726038" y3="1.386221" z3="0.509424">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.762196" y3="0.897905" z3="1.624923">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.63386" y3="1.790725" z3="1.367911">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.441005" y3="2.031854" z3="0.307708">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.976542" y3="2.179726" z3="-1.12871">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.924553" y3="2.195792" z3="0.477413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.678667" y3="0.437811" z3="-0.63597">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.107279" y3="1.64507" z3="2.829736">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.164571" y3="-0.732091" z3="-1.501155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.621127" y3="-1.077908" z3="-1.264629">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.061874" y3="-1.787517" z3="-0.127322">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.576787" y3="-0.655425" z3="-2.196682">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.558309" y3="0.684119" z3="-1.207998">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.109432" y3="-2.286498" z3="0.931112">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.429988" y3="-2.042227" z3="0.046758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.933752" y3="-0.926303" z3="-2.024459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.36569" y3="-1.622968" z3="-0.896094">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.343615" y3="-1.755918" z3="-1.908822">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.232796" y3="-2.515167" z3="-0.863237">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.805528" y3="-0.418006" z3="-0.585377">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.757183" y3="-4.305724" z3="0.893667">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.245455" y3="-4.126682" z3="1.537183">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.468442" y3="-4.03918" z3="-0.098773">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.57755" y3="3.239429" z3="-0.121051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.504269" y3="2.063893" z3="0.865048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.99724" y3="3.23363" z3="-1.430301">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.67017" y3="1.651395" z3="-1.790775">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.359298" y3="2.830686" z3="-0.296902">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.176251" y3="2.582069" z3="1.460582">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.509206" y3="-1.598489" z3="-1.371652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.039107" y3="-0.417598" z3="-2.5431">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.247801" y3="-0.105788" z3="-3.073563">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.122822" y3="-1.829726" z3="0.888478">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.510771" y3="-2.14106" z3="1.934624">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.767625" y3="-2.566718" z3="0.937168">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.650003" y3="-0.588048" z3="-2.766711">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.419931" y3="-1.830712" z3="-0.745034">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.430421" y3="-2.215325" z3="-2.893194">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.299513" y3="-1.818019" z3="-1.587318">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3199,1.4835,-1.543;-4.8366,.5611,.3927;.8251,.0692,2.5054;-1.3185,2.0927,3.694;4.4114,1.3635,-.304;-3.2392,1.1155,2.9989;-6.1175,-3.7604,-.9246;-6.9084,-1.8064,-.0794;-.2428,1.7334,1.164;2.3573,.3736,-.284;-5.6859,-.3494,-2.0697;-6.0709,1.7705,-1.7841;4.878,-3.788,.8055;-6.3082,.1036,-3.1809;-6.5154,1.3719,-3.0005;.478,2.1552,-.0339;1.726,1.3862,.5094;.7622,.8979,1.6249;-1.6339,1.7907,1.3679;-2.441,2.0319,.3077;-1.9765,2.1797,-1.1287;-3.9246,2.1958,.4774;3.6787,.4378,-.636;-2.1073,1.6451,2.8297;4.1646,-.7321,-1.5012;5.6211,-1.0779,-1.2646;6.0619,-1.7875,-.1273;6.5768,-.6554,-2.1967;-5.5583,.6841,-1.208;5.1094,-2.2865,.9311;7.43,-2.0422,.0468;7.9338,-.9263,-2.0245;8.3657,-1.623,-.8961;-5.3436,-1.7559,-1.9088;-6.2328,-2.5152,-.8632;1.8055,-.418,-.5854;5.7572,-4.3057,.8937;4.2455,-4.1267,1.5372;4.4684,-4.0392,-.0988;.5776,3.2394,-.1211;2.5043,2.0639,.865;-1.9972,3.2336,-1.4303;-2.6702,1.6514,-1.7908;-4.3593,2.8307,-.2969;-4.1763,2.5821,1.4606;3.5092,-1.5985,-1.3717;4.0391,-.4176,-2.5431;6.2478,-.1058,-3.0736;4.1228,-1.8297,.8885;5.5108,-2.1411,1.9346;7.7676,-2.5667,.9372;8.65,-.588,-2.7667;9.4199,-1.8307,-.745;-5.4304,-2.2153,-2.8932;-4.2995,-1.818,-1.5873;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1751263 0.0397045 0.0378874</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.317176" y3="1.480088" z3="-1.544908">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.836517" y3="0.565373" z3="0.390837">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.824894" y3="0.086405" z3="2.511799">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.318753" y3="2.112475" z3="3.688097">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.409685" y3="1.375306" z3="-0.311387">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.2410" y3="1.135335" z3="2.997796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.125117" y3="-3.758679" z3="-0.891482">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.915154" y3="-1.795554" z3="-0.066489">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.242933" y3="1.743078" z3="1.161134">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.359394" y3="0.377444" z3="-0.27676">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.685535" y3="-0.358683" z3="-2.065593">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.065988" y3="1.764089" z3="-1.794752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.880645" y3="-3.813964" z3="0.775252">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.306066" y3="0.088129" z3="-3.180151">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.510825" y3="1.358084" z3="-3.008654">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.478713" y3="2.159407" z3="-0.038096">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.726909" y3="1.394029" z3="0.510378">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.762371" y3="0.910851" z3="1.627328">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.634137" y3="1.799786" z3="1.36344">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.440458" y3="2.03511" z3="0.301208">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.974548" y3="2.177361" z3="-1.135292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.924049" y3="2.200038" z3="0.468385">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.679081" y3="0.445008" z3="-0.635012">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.108224" y3="1.662121" z3="2.825959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.165327" y3="-0.72787" z3="-1.496307">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.621551" y3="-1.072823" z3="-1.257317">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.058868" y3="-1.798382" z3="-0.128724">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.580622" y3="-0.632784" z3="-2.177745">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.556569" y3="0.680446" z3="-1.210907">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.103734" y3="-2.313265" z3="0.919546">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.426833" y3="-2.052684" z3="0.047646">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.937362" y3="-0.902749" z3="-2.003202">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.365751" y3="-1.616539" z3="-0.884118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.346915" y3="-1.764657" z3="-1.89348">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.23893" y3="-2.512783" z3="-0.842116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.809217" y3="-0.417756" z3="-0.571484">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.761887" y3="-4.328196" z3="0.86293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.245231" y3="-4.164434" z3="1.49873">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.47828" y3="-4.056338" z3="-0.134546">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.577679" y3="3.243317" z3="-0.130255">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.50429" y3="2.074193" z3="0.8630">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.994745" y3="3.230215" z3="-1.440556">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.667463" y3="1.646867" z3="-1.796326">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.357696" y3="2.831176" z3="-0.30974">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.17703" y3="2.590967" z3="1.449326">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.510013" y3="-1.593553" z3="-1.363652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.039774" y3="-0.417122" z3="-2.539349">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.254215" y3="-0.070796" z3="-3.047731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.115322" y3="-1.860724" z3="0.877225">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.499332" y3="-2.176643" z3="1.926638">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.761889" y3="-2.589797" z3="0.931586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.656348" y3="-0.550605" z3="-2.736298">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.419827" y3="-1.823832" z3="-0.731304">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.434383" y3="-2.2316" z3="-2.874252">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.303183" y3="-1.827094" z3="-1.570914">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3172,1.4801,-1.5449;-4.8365,.5654,.3908;.8249,.0864,2.5118;-1.3188,2.1125,3.6881;4.4097,1.3753,-.3114;-3.241,1.1353,2.9978;-6.1251,-3.7587,-.8915;-6.9152,-1.7956,-.0665;-.2429,1.7431,1.1611;2.3594,.3774,-.2768;-5.6855,-.3587,-2.0656;-6.066,1.7641,-1.7948;4.8806,-3.814,.7753;-6.3061,.0881,-3.1802;-6.5108,1.3581,-3.0087;.4787,2.1594,-.0381;1.7269,1.394,.5104;.7624,.9109,1.6273;-1.6341,1.7998,1.3634;-2.4405,2.0351,.3012;-1.9745,2.1774,-1.1353;-3.924,2.2,.4684;3.6791,.445,-.635;-2.1082,1.6621,2.826;4.1653,-.7279,-1.4963;5.6216,-1.0728,-1.2573;6.0589,-1.7984,-.1287;6.5806,-.6328,-2.1777;-5.5566,.6804,-1.2109;5.1037,-2.3133,.9195;7.4268,-2.0527,.0476;7.9374,-.9027,-2.0032;8.3658,-1.6165,-.8841;-5.3469,-1.7647,-1.8935;-6.2389,-2.5128,-.8421;1.8092,-.4178,-.5715;5.7619,-4.3282,.8629;4.2452,-4.1644,1.4987;4.4783,-4.0563,-.1345;.5777,3.2433,-.1303;2.5043,2.0742,.863;-1.9947,3.2302,-1.4406;-2.6675,1.6469,-1.7963;-4.3577,2.8312,-.3097;-4.177,2.591,1.4493;3.51,-1.5936,-1.3637;4.0398,-.4171,-2.5393;6.2542,-.0708,-3.0477;4.1153,-1.8607,.8772;5.4993,-2.1766,1.9266;7.7619,-2.5898,.9316;8.6563,-.5506,-2.7363;9.4198,-1.8238,-.7313;-5.4344,-2.2316,-2.8743;-4.3032,-1.8271,-1.5709;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1749165 0.0396976 0.0378762</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.318249" y3="1.482409" z3="-1.543776">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.835605" y3="0.56504" z3="0.393291">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.824559" y3="0.078876" z3="2.50889">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.319389" y3="2.10311" z3="3.691537">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.409859" y3="1.370255" z3="-0.310171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.240829" y3="1.127157" z3="2.996794">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.117938" y3="-3.761173" z3="-0.90391">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.909934" y3="-1.802353" z3="-0.07081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.242506" y3="1.739627" z3="1.162643">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.357988" y3="0.375467" z3="-0.280515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.682379" y3="-0.356297" z3="-2.065764">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.065924" y3="1.765372" z3="-1.791003">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.875575" y3="-3.803077" z3="0.784819">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.302679" y3="0.091988" z3="-3.180069">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.508877" y3="1.361339" z3="-3.006163">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.478878" y3="2.157991" z3="-0.036102">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.726596" y3="1.390349" z3="0.509871">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.762296" y3="0.905488" z3="1.626438">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.633626" y3="1.797338" z3="1.365627">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.4402" y3="2.035671" z3="0.304317">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.974954" y3="2.179941" z3="-1.132201">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.92376" y3="2.199997" z3="0.472728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.67808" y3="0.441848" z3="-0.636968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.108078" y3="1.654992" z3="2.827451">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.164244" y3="-0.729387" z3="-1.500063">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.620549" y3="-1.074783" z3="-1.261314">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.057969" y3="-1.793073" z3="-0.128298">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.579122" y3="-0.642798" z3="-2.186041">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.55522" y3="0.681306" z3="-1.20887">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.101928" y3="-2.301988" z3="0.922099">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.42581" y3="-2.047087" z3="0.049229">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.935802" y3="-0.912727" z3="-2.010523">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.364445" y3="-1.618206" z3="-0.88627">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.341581" y3="-1.762255" z3="-1.897453">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.232931" y3="-2.515545" z3="-0.849475">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.806878" y3="-0.418017" z3="-0.5781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.75566" y3="-4.319011" z3="0.873876">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.240144" y3="-4.148637" z3="1.510751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.471601" y3="-4.048954" z3="-0.123478">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.578782" y3="3.242003" z3="-0.126062">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.504751" y3="2.068989" z3="0.863702">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.995167" y3="3.233112" z3="-1.43634">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.668413" y3="1.650244" z3="-1.793343">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.358028" y3="2.832559" z3="-0.303778">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.175652" y3="2.589138" z3="1.454664">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.508915" y3="-1.595683" z3="-1.369795">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.039824" y3="-0.416016" z3="-2.542437">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.25254" y3="-0.086533" z3="-3.059637">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.114372" y3="-1.84745" z3="0.877961">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.498046" y3="-2.162341" z3="1.928487">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.760764" y3="-2.57863" z3="0.93654">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.654492" y3="-0.56711" z3="-2.747006">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.41842" y3="-1.825565" z3="-0.732834">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.427329" y3="-2.2265" z3="-2.879645">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.297992" y3="-1.823619" z3="-1.574162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3182,1.4824,-1.5438;-4.8356,.565,.3933;.8246,.0789,2.5089;-1.3194,2.1031,3.6915;4.4099,1.3703,-.3102;-3.2408,1.1272,2.9968;-6.1179,-3.7612,-.9039;-6.9099,-1.8024,-.0708;-.2425,1.7396,1.1626;2.358,.3755,-.2805;-5.6824,-.3563,-2.0658;-6.0659,1.7654,-1.791;4.8756,-3.8031,.7848;-6.3027,.092,-3.1801;-6.5089,1.3613,-3.0062;.4789,2.158,-.0361;1.7266,1.3903,.5099;.7623,.9055,1.6264;-1.6336,1.7973,1.3656;-2.4402,2.0357,.3043;-1.975,2.1799,-1.1322;-3.9238,2.2,.4727;3.6781,.4418,-.637;-2.1081,1.655,2.8275;4.1642,-.7294,-1.5001;5.6205,-1.0748,-1.2613;6.058,-1.7931,-.1283;6.5791,-.6428,-2.186;-5.5552,.6813,-1.2089;5.1019,-2.302,.9221;7.4258,-2.0471,.0492;7.9358,-.9127,-2.0105;8.3644,-1.6182,-.8863;-5.3416,-1.7623,-1.8975;-6.2329,-2.5155,-.8495;1.8069,-.418,-.5781;5.7557,-4.319,.8739;4.2401,-4.1486,1.5108;4.4716,-4.049,-.1235;.5788,3.242,-.1261;2.5048,2.069,.8637;-1.9952,3.2331,-1.4363;-2.6684,1.6502,-1.7933;-4.358,2.8326,-.3038;-4.1757,2.5891,1.4547;3.5089,-1.5957,-1.3698;4.0398,-.416,-2.5424;6.2525,-.0865,-3.0596;4.1144,-1.8475,.878;5.498,-2.1623,1.9285;7.7608,-2.5786,.9365;8.6545,-.5671,-2.747;9.4184,-1.8256,-.7328;-5.4273,-2.2265,-2.8796;-4.298,-1.8236,-1.5742;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1749717 0.0397255 0.0379029</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.317093" y3="1.482038" z3="-1.544506">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.836497" y3="0.568603" z3="0.393118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.823202" y3="0.08336" z3="2.510195">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.31977" y3="2.109227" z3="3.689422">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.409678" y3="1.374015" z3="-0.310554">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.242605" y3="1.135379" z3="2.995825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.125536" y3="-3.760093" z3="-0.886586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.914344" y3="-1.795539" z3="-0.063912">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.242918" y3="1.742816" z3="1.161569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.35878" y3="0.377218" z3="-0.278477">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.680378" y3="-0.361679" z3="-2.06341">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.060127" y3="1.762007" z3="-1.798883">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.875139" y3="-3.813547" z3="0.76995">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.297491" y3="0.082917" z3="-3.1810">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.501616" y3="1.353381" z3="-3.013081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.479152" y3="2.159654" z3="-0.037297">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.726588" y3="1.392727" z3="0.510452">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.761552" y3="0.909015" z3="1.62681">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.634111" y3="1.801175" z3="1.36386">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.44011" y3="2.038127" z3="0.301735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.974024" y3="2.180149" z3="-1.134812">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.923755" y3="2.203201" z3="0.4689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.678488" y3="0.444647" z3="-0.636003">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.109024" y3="1.661251" z3="2.825772">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.165052" y3="-0.726639" z3="-1.498785">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.621082" y3="-1.072205" z3="-1.258489">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.056609" y3="-1.796672" z3="-0.128764">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.581427" y3="-0.633506" z3="-2.178292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.552675" y3="0.679539" z3="-1.210975">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.0988" y3="-2.31299" z3="0.916406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.424318" y3="-2.050417" z3="0.050381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.93797" y3="-0.902822" z3="-2.001072">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.364734" y3="-1.614742" z3="-0.880133">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.342919" y3="-1.767607" z3="-1.888073">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.237728" y3="-2.513958" z3="-0.838097">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.808032" y3="-0.416686" z3="-0.575554">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.755969" y3="-4.328383" z3="0.858389">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.238482" y3="-4.164251" z3="1.492323">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.473896" y3="-4.054996" z3="-0.140768">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.579077" y3="3.24356" z3="-0.128585">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.504339" y3="2.07192" z3="0.864043">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.994029" y3="3.232866" z3="-1.44051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.66718" y3="1.649529" z3="-1.795521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.357286" y3="2.834218" z3="-0.309272">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.175999" y3="2.594562" z3="1.449864">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.509289" y3="-1.592684" z3="-1.3695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.041824" y3="-0.41286" z3="-2.541195">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.256283" y3="-0.072517" z3="-3.04939">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.110753" y3="-1.859547" z3="0.872345">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.492311" y3="-2.178686" z3="1.924546">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.757539" y3="-2.58734" z3="0.935051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.658035" y3="-0.551966" z3="-2.733721">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.418563" y3="-1.821967" z3="-0.725521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.428036" y3="-2.236217" z3="-2.868243">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.300058" y3="-1.829793" z3="-1.562637">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3171,1.482,-1.5445;-4.8365,.5686,.3931;.8232,.0834,2.5102;-1.3198,2.1092,3.6894;4.4097,1.374,-.3106;-3.2426,1.1354,2.9958;-6.1255,-3.7601,-.8866;-6.9143,-1.7955,-.0639;-.2429,1.7428,1.1616;2.3588,.3772,-.2785;-5.6804,-.3617,-2.0634;-6.0601,1.762,-1.7989;4.8751,-3.8135,.77;-6.2975,.0829,-3.181;-6.5016,1.3534,-3.0131;.4792,2.1597,-.0373;1.7266,1.3927,.5105;.7616,.909,1.6268;-1.6341,1.8012,1.3639;-2.4401,2.0381,.3017;-1.974,2.1801,-1.1348;-3.9238,2.2032,.4689;3.6785,.4446,-.636;-2.109,1.6613,2.8258;4.1651,-.7266,-1.4988;5.6211,-1.0722,-1.2585;6.0566,-1.7967,-.1288;6.5814,-.6335,-2.1783;-5.5527,.6795,-1.211;5.0988,-2.313,.9164;7.4243,-2.0504,.0504;7.938,-.9028,-2.0011;8.3647,-1.6147,-.8801;-5.3429,-1.7676,-1.8881;-6.2377,-2.514,-.8381;1.808,-.4167,-.5756;5.756,-4.3284,.8584;4.2385,-4.1643,1.4923;4.4739,-4.055,-.1408;.5791,3.2436,-.1286;2.5043,2.0719,.864;-1.994,3.2329,-1.4405;-2.6672,1.6495,-1.7955;-4.3573,2.8342,-.3093;-4.176,2.5946,1.4499;3.5093,-1.5927,-1.3695;4.0418,-.4129,-2.5412;6.2563,-.0725,-3.0494;4.1108,-1.8595,.8723;5.4923,-2.1787,1.9245;7.7575,-2.5873,.9351;8.658,-.552,-2.7337;9.4186,-1.822,-.7255;-5.428,-2.2362,-2.8682;-4.3001,-1.8298,-1.5626;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1748923 0.0397245 0.0379029</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.32365" y3="1.47176" z3="-1.543322">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.84381" y3="0.570483" z3="0.398457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.830902" y3="0.101868" z3="2.513929">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.32003" y3="2.123635" z3="3.688203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.408201" y3="1.383618" z3="-0.318113">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.238812" y3="1.138781" z3="2.997264">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.126401" y3="-3.760805" z3="-0.874797">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.905978" y3="-1.793044" z3="-0.050678">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.242302" y3="1.751705" z3="1.159124">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.357738" y3="0.385708" z3="-0.283018">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.678699" y3="-0.364919" z3="-2.059171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.044931" y3="1.762081" z3="-1.808276">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.872398" y3="-3.827386" z3="0.747935">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.284904" y3="0.07787" z3="-3.183025">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.479888" y3="1.351009" z3="-3.023774">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.475425" y3="2.163124" z3="-0.04439">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.726662" y3="1.404447" z3="0.505212">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.764126" y3="0.921087" z3="1.624753">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.633735" y3="1.804439" z3="1.363579">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.442776" y3="2.033352" z3="0.302497">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.980254" y3="2.170592" z3="-1.135235">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.925672" y3="2.20198" z3="0.473877">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.678031" y3="0.451878" z3="-0.638984">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.107429" y3="1.669075" z3="2.826407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.165842" y3="-0.721934" z3="-1.497748">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.620895" y3="-1.067345" z3="-1.252866">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.052247" y3="-1.799392" z3="-0.126125">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.584227" y3="-0.627061" z3="-2.168454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.54717" y3="0.679821" z3="-1.211362">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.091417" y3="-2.327928" z3="0.910248">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.419591" y3="-2.051755" z3="0.057376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.940233" y3="-0.897887" z3="-1.988557">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.363218" y3="-1.613018" z3="-0.868337">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.340255" y3="-1.770052" z3="-1.878856">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.2340" y3="-2.514021" z3="-0.826574">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.809083" y3="-0.412563" z3="-0.572146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.752004" y3="-4.343337" z3="0.841565">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.228506" y3="-4.186927" z3="1.459441">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.481856" y3="-4.05856" z3="-0.169717">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.570382" y3="3.246777" z3="-0.142867">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.503893" y3="2.087411" z3="0.852775">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.002588" y3="3.222056" z3="-1.444958">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.673504" y3="1.636485" z3="-1.793097">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.358787" y3="2.830741" z3="-0.306039">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.177588" y3="2.596711" z3="1.453679">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.509655" y3="-1.587822" z3="-1.368721">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.047453" y3="-0.407734" z3="-2.540455">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.261756" y3="-0.062256" z3="-3.038134">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.102704" y3="-1.876849" z3="0.866395">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.47922" y3="-2.200347" z3="1.921004">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.749445" y3="-2.592041" z3="0.941648">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.662599" y3="-0.544094" z3="-2.71752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.41633" y3="-1.821272" z3="-0.710249">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.423962" y3="-2.242167" z3="-2.857466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.297263" y3="-1.829186" z3="-1.552992">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3236,1.4718,-1.5433;-4.8438,.5705,.3985;.8309,.1019,2.5139;-1.32,2.1236,3.6882;4.4082,1.3836,-.3181;-3.2388,1.1388,2.9973;-6.1264,-3.7608,-.8748;-6.906,-1.793,-.0507;-.2423,1.7517,1.1591;2.3577,.3857,-.283;-5.6787,-.3649,-2.0592;-6.0449,1.7621,-1.8083;4.8724,-3.8274,.7479;-6.2849,.0779,-3.183;-6.4799,1.351,-3.0238;.4754,2.1631,-.0444;1.7267,1.4044,.5052;.7641,.9211,1.6248;-1.6337,1.8044,1.3636;-2.4428,2.0334,.3025;-1.9803,2.1706,-1.1352;-3.9257,2.202,.4739;3.678,.4519,-.639;-2.1074,1.6691,2.8264;4.1658,-.7219,-1.4977;5.6209,-1.0673,-1.2529;6.0522,-1.7994,-.1261;6.5842,-.6271,-2.1685;-5.5472,.6798,-1.2114;5.0914,-2.3279,.9102;7.4196,-2.0518,.0574;7.9402,-.8979,-1.9886;8.3632,-1.613,-.8683;-5.3403,-1.7701,-1.8789;-6.234,-2.514,-.8266;1.8091,-.4126,-.5721;5.752,-4.3433,.8416;4.2285,-4.1869,1.4594;4.4819,-4.0586,-.1697;.5704,3.2468,-.1429;2.5039,2.0874,.8528;-2.0026,3.2221,-1.445;-2.6735,1.6365,-1.7931;-4.3588,2.8307,-.306;-4.1776,2.5967,1.4537;3.5097,-1.5878,-1.3687;4.0475,-.4077,-2.5405;6.2618,-.0623,-3.0381;4.1027,-1.8768,.8664;5.4792,-2.2003,1.921;7.7494,-2.592,.9416;8.6626,-.5441,-2.7175;9.4163,-1.8213,-.7102;-5.424,-2.2422,-2.8575;-4.2973,-1.8292,-1.553;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1747191 0.0397626 0.0379307</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.318418" y3="1.495985" z3="-1.548974">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.802256" y3="0.533514" z3="0.419795">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.867689" y3="0.11956" z3="2.4959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.27945" y3="2.09745" z3="3.692887">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.416551" y3="1.406352" z3="-0.362603">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.189748" y3="1.096262" z3="3.005734">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.093626" y3="-3.801731" z3="-0.947879">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.865152" y3="-1.861169" z3="-0.05679">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.220509" y3="1.769752" z3="1.153544">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.366788" y3="0.413824" z3="-0.312824">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.654404" y3="-0.377179" z3="-2.045258">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.056443" y3="1.738562" z3="-1.744968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.779036" y3="-3.792299" z3="0.758388">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.27348" y3="0.079426" z3="-3.156189">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.499664" y3="1.342938" z3="-2.962018">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.488157" y3="2.186623" z3="-0.054129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.745552" y3="1.430015" z3="0.484083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.790057" y3="0.938269" z3="1.606882">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.610829" y3="1.820168" z3="1.366958">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.428062" y3="2.051432" z3="0.311549">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.975406" y3="2.185832" z3="-1.130595">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.916337" y3="2.183916" z3="0.49112">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.684439" y3="0.473066" z3="-0.671705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.071268" y3="1.653302" z3="2.830647">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.166998" y3="-0.703763" z3="-1.529335">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.6126" y3="-1.077775" z3="-1.26409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.024109" y3="-1.798308" z3="-0.122509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.591472" y3="-0.652696" z3="-2.171564">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.53343" y3="0.652528" z3="-1.177058">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.048901" y3="-2.299807" z3="0.91345">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.387467" y3="-2.059108" z3="0.07905">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.942774" y3="-0.933212" z3="-1.973991">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.345852" y3="-1.639441" z3="-0.841009">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.309003" y3="-1.783084" z3="-1.895358">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.201196" y3="-2.556602" z3="-0.861975">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.815956" y3="-0.389445" z3="-0.58424">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.642416" y3="-4.335356" z3="0.849119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.125479" y3="-4.126469" z3="1.47431">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.376911" y3="-4.014919" z3="-0.156446">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.580565" y3="3.270435" z3="-0.149896">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.527263" y3="2.109172" z3="0.82997">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.012432" y3="3.234169" z3="-1.450772">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.667227" y3="1.638313" z3="-1.778822">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.374162" y3="2.809761" z3="-0.276153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.1706" y3="2.55979" z3="1.477764">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.491486" y3="-1.555891" z3="-1.42725">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.072918" y3="-0.377428" z3="-2.571391">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.285009" y3="-0.091723" z3="-3.04929">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.074548" y3="-1.816898" z3="0.874894">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.444162" y3="-2.189473" z3="1.923009">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.705656" y3="-2.58751" z3="0.973833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.675953" y3="-0.594343" z3="-2.699182">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.394978" y3="-1.856652" z3="-0.669282">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.392887" y3="-2.232769" z3="-2.884683">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.264102" y3="-1.84858" z3="-1.57532">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3184,1.496,-1.549;-4.8023,.5335,.4198;.8677,.1196,2.4959;-1.2794,2.0974,3.6929;4.4166,1.4064,-.3626;-3.1897,1.0963,3.0057;-6.0936,-3.8017,-.9479;-6.8652,-1.8612,-.0568;-.2205,1.7698,1.1535;2.3668,.4138,-.3128;-5.6544,-.3772,-2.0453;-6.0564,1.7386,-1.745;4.779,-3.7923,.7584;-6.2735,.0794,-3.1562;-6.4997,1.3429,-2.962;.4882,2.1866,-.0541;1.7456,1.43,.4841;.7901,.9383,1.6069;-1.6108,1.8202,1.367;-2.4281,2.0514,.3115;-1.9754,2.1858,-1.1306;-3.9163,2.1839,.4911;3.6844,.4731,-.6717;-2.0713,1.6533,2.8306;4.167,-.7038,-1.5293;5.6126,-1.0778,-1.2641;6.0241,-1.7983,-.1225;6.5915,-.6527,-2.1716;-5.5334,.6525,-1.1771;5.0489,-2.2998,.9134;7.3875,-2.0591,.079;7.9428,-.9332,-1.974;8.3459,-1.6394,-.841;-5.309,-1.7831,-1.8954;-6.2012,-2.5566,-.862;1.816,-.3894,-.5842;5.6424,-4.3354,.8491;4.1255,-4.1265,1.4743;4.3769,-4.0149,-.1564;.5806,3.2704,-.1499;2.5273,2.1092,.83;-2.0124,3.2342,-1.4508;-2.6672,1.6383,-1.7788;-4.3742,2.8098,-.2762;-4.1706,2.5598,1.4778;3.4915,-1.5559,-1.4272;4.0729,-.3774,-2.5714;6.285,-.0917,-3.0493;4.0745,-1.8169,.8749;5.4442,-2.1895,1.923;7.7057,-2.5875,.9738;8.676,-.5943,-2.6992;9.395,-1.8567,-.6693;-5.3929,-2.2328,-2.8847;-4.2641,-1.8486,-1.5753;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1740304 0.0400316 0.0381336</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.319075" y3="1.482202" z3="-1.545609">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.829653" y3="0.558443" z3="0.400066">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.837255" y3="0.098621" z3="2.50827">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.30912" y3="2.111361" z3="3.689415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.411126" y3="1.385282" z3="-0.326095">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.227528" y3="1.126199" z3="2.999826">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.117346" y3="-3.770431" z3="-0.901845">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.900296" y3="-1.811753" z3="-0.060188">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.237082" y3="1.752004" z3="1.158706">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.360911" y3="0.388777" z3="-0.287483">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.675985" y3="-0.364952" z3="-2.058904">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.058683" y3="1.757134" z3="-1.785349">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.852725" y3="-3.81182" z3="0.764546">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.292703" y3="0.083375" z3="-3.174815">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.500689" y3="1.352553" z3="-3.000473">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.480319" y3="2.167303" z3="-0.04372">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.731607" y3="1.40577" z3="0.502418">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.769855" y3="0.92036" z3="1.621491">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.628125" y3="1.806153" z3="1.364357">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.437887" y3="2.0389" z3="0.304129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.976179" y3="2.177945" z3="-1.134125">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.922592" y3="2.19643" z3="0.475468">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.680225" y3="0.453871" z3="-0.645362">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.098672" y3="1.661577" z3="2.827306">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.165894" y3="-0.72024" z3="-1.505127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.61922" y3="-1.072749" z3="-1.258016">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.048515" y3="-1.798601" z3="-0.12649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.584409" y3="-0.636459" z3="-2.174003">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.54854" y3="0.673167" z3="-1.202406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.086838" y3="-2.313344" z3="0.915828">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.415194" y3="-2.054112" z3="0.058043">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.939623" y3="-0.909336" z3="-1.992274">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.360253" y3="-1.621543" z3="-0.869314">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.335626" y3="-1.770739" z3="-1.890467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.228135" y3="-2.524415" z3="-0.84345">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.810891" y3="-0.409249" z3="-0.574938">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.729105" y3="-4.333872" z3="0.854469">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.210572" y3="-4.160325" z3="1.483264">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.453188" y3="-4.046528" z3="-0.148434">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.57665" y3="3.251133" z3="-0.138322">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.510057" y3="2.086354" z3="0.852118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.001175" y3="3.229347" z3="-1.444299">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.668928" y3="1.642218" z3="-1.791136">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.362309" y3="2.825701" z3="-0.30035">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.17571" y3="2.584448" z3="1.457597">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.505092" y3="-1.582574" z3="-1.38112">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.050046" y3="-0.404615" z3="-2.547913">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.264039" y3="-0.074038" z3="-3.045929">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.101859" y3="-1.85334" z3="0.874063">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.480577" y3="-2.185548" z3="1.92445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.744693" y3="-2.589777" z3="0.944873">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.663074" y3="-0.56018" z3="-2.722383">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.412869" y3="-1.831609" z3="-0.710394">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.421208" y3="-2.23455" z3="-2.872941">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.291787" y3="-1.833138" z3="-1.567692">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3191,1.4822,-1.5456;-4.8297,.5584,.4001;.8373,.0986,2.5083;-1.3091,2.1114,3.6894;4.4111,1.3853,-.3261;-3.2275,1.1262,2.9998;-6.1173,-3.7704,-.9018;-6.9003,-1.8118,-.0602;-.2371,1.752,1.1587;2.3609,.3888,-.2875;-5.676,-.365,-2.0589;-6.0587,1.7571,-1.7853;4.8527,-3.8118,.7645;-6.2927,.0834,-3.1748;-6.5007,1.3526,-3.0005;.4803,2.1673,-.0437;1.7316,1.4058,.5024;.7699,.9204,1.6215;-1.6281,1.8062,1.3644;-2.4379,2.0389,.3041;-1.9762,2.1779,-1.1341;-3.9226,2.1964,.4755;3.6802,.4539,-.6454;-2.0987,1.6616,2.8273;4.1659,-.7202,-1.5051;5.6192,-1.0727,-1.258;6.0485,-1.7986,-.1265;6.5844,-.6365,-2.174;-5.5485,.6732,-1.2024;5.0868,-2.3133,.9158;7.4152,-2.0541,.058;7.9396,-.9093,-1.9923;8.3603,-1.6215,-.8693;-5.3356,-1.7707,-1.8905;-6.2281,-2.5244,-.8435;1.8109,-.4092,-.5749;5.7291,-4.3339,.8545;4.2106,-4.1603,1.4833;4.4532,-4.0465,-.1484;.5766,3.2511,-.1383;2.5101,2.0864,.8521;-2.0012,3.2293,-1.4443;-2.6689,1.6422,-1.7911;-4.3623,2.8257,-.3004;-4.1757,2.5844,1.4576;3.5051,-1.5826,-1.3811;4.05,-.4046,-2.5479;6.264,-.074,-3.0459;4.1019,-1.8533,.8741;5.4806,-2.1855,1.9244;7.7447,-2.5898,.9449;8.6631,-.5602,-2.7224;9.4129,-1.8316,-.7104;-5.4212,-2.2346,-2.8729;-4.2918,-1.8331,-1.5677;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1746392 0.0397971 0.0379540</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.319023" y3="1.479229" z3="-1.544513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.836745" y3="0.565898" z3="0.395039">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.828234" y3="0.090729" z3="2.511004">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.317448" y3="2.113183" z3="3.68898">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.409593" y3="1.3785" z3="-0.315767">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.238241" y3="1.133569" z3="2.997575">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.123476" y3="-3.762008" z3="-0.889685">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.909742" y3="-1.798703" z3="-0.0616">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.241608" y3="1.746214" z3="1.160452">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.359132" y3="0.381148" z3="-0.280884">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.680669" y3="-0.361825" z3="-2.062411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.058497" y3="1.76191" z3="-1.796688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.871549" y3="-3.815315" z3="0.766761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.296456" y3="0.083985" z3="-3.180017">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.499634" y3="1.35459" z3="-3.011367">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.478434" y3="2.161586" z3="-0.040203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.727691" y3="1.397886" z3="0.507701">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.764045" y3="0.913957" z3="1.625458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.632818" y3="1.802073" z3="1.363946">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.440347" y3="2.036152" z3="0.302454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.976013" y3="2.176779" z3="-1.134678">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.924007" y3="2.200491" z3="0.471471">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.678851" y3="0.447929" z3="-0.638459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.106348" y3="1.662679" z3="2.826422">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.165426" y3="-0.72489" z3="-1.499369">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.62079" y3="-1.071583" z3="-1.257119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.054777" y3="-1.797626" z3="-0.127615">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.582283" y3="-0.633323" z3="-2.175859">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.551886" y3="0.678746" z3="-1.209267">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.096346" y3="-2.315298" z3="0.916316">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.422282" y3="-2.051572" z3="0.05273">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.938512" y3="-0.903853" z3="-1.997936">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.363804" y3="-1.616362" z3="-0.876874">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.341888" y3="-1.767583" z3="-1.88872">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.235045" y3="-2.515849" z3="-0.838631">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.809119" y3="-0.414842" z3="-0.573769">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.751293" y3="-4.331737" z3="0.856576">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.232588" y3="-4.167031" z3="1.486598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.472518" y3="-4.05384" z3="-0.145528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.576298" y3="3.245441" z3="-0.133821">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.505377" y3="2.078424" z3="0.858964">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.99756" y3="3.229041" z3="-1.441892">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.669087" y3="1.644509" z3="-1.794155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.358709" y3="2.830872" z3="-0.306469">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.176496" y3="2.591657" z3="1.452486">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.508722" y3="-1.590108" z3="-1.370247">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.044067" y3="-0.411483" z3="-2.542096">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.258233" y3="-0.071461" z3="-3.046812">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.108704" y3="-1.861206" z3="0.873143">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.489396" y3="-2.182697" z3="1.924729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.754611" y3="-2.588544" z3="0.937809">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.659369" y3="-0.552871" z3="-2.729746">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.417316" y3="-1.824376" z3="-0.721177">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.427427" y3="-2.235245" z3="-2.869322">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.298538" y3="-1.829154" z3="-1.56458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.319,1.4792,-1.5445;-4.8367,.5659,.395;.8282,.0907,2.511;-1.3174,2.1132,3.689;4.4096,1.3785,-.3158;-3.2382,1.1336,2.9976;-6.1235,-3.762,-.8897;-6.9097,-1.7987,-.0616;-.2416,1.7462,1.1605;2.3591,.3811,-.2809;-5.6807,-.3618,-2.0624;-6.0585,1.7619,-1.7967;4.8715,-3.8153,.7668;-6.2965,.084,-3.18;-6.4996,1.3546,-3.0114;.4784,2.1616,-.0402;1.7277,1.3979,.5077;.764,.914,1.6255;-1.6328,1.8021,1.3639;-2.4403,2.0362,.3025;-1.976,2.1768,-1.1347;-3.924,2.2005,.4715;3.6789,.4479,-.6385;-2.1063,1.6627,2.8264;4.1654,-.7249,-1.4994;5.6208,-1.0716,-1.2571;6.0548,-1.7976,-.1276;6.5823,-.6333,-2.1759;-5.5519,.6787,-1.2093;5.0963,-2.3153,.9163;7.4223,-2.0516,.0527;7.9385,-.9039,-1.9979;8.3638,-1.6164,-.8769;-5.3419,-1.7676,-1.8887;-6.235,-2.5158,-.8386;1.8091,-.4148,-.5738;5.7513,-4.3317,.8566;4.2326,-4.167,1.4866;4.4725,-4.0538,-.1455;.5763,3.2454,-.1338;2.5054,2.0784,.859;-1.9976,3.229,-1.4419;-2.6691,1.6445,-1.7942;-4.3587,2.8309,-.3065;-4.1765,2.5917,1.4525;3.5087,-1.5901,-1.3702;4.0441,-.4115,-2.5421;6.2582,-.0715,-3.0468;4.1087,-1.8612,.8731;5.4894,-2.1827,1.9247;7.7546,-2.5885,.9378;8.6594,-.5529,-2.7297;9.4173,-1.8244,-.7212;-5.4274,-2.2352,-2.8693;-4.2985,-1.8292,-1.5646;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1748199 0.0397399 0.0379120</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.316744" y3="1.481501" z3="-1.544193">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.834276" y3="0.565359" z3="0.393674">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.827007" y3="0.084642" z3="2.511004">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.318625" y3="2.108229" z3="3.690231">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.408505" y3="1.377639" z3="-0.319915">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.239231" y3="1.129783" z3="2.996512">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.118533" y3="-3.762612" z3="-0.897247">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.907428" y3="-1.80224" z3="-0.064876">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.241463" y3="1.742086" z3="1.161776">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.3598" y3="0.377219" z3="-0.278524">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.681779" y3="-0.359523" z3="-2.063891">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.064409" y3="1.762673" z3="-1.792368">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.870009" y3="-3.807996" z3="0.773965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.302259" y3="0.087197" z3="-3.178678">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.507869" y3="1.356927" z3="-3.006787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.4798" y3="2.15954" z3="-0.037314">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.728055" y3="1.393496" z3="0.509911">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.763975" y3="0.909496" z3="1.626966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.632596" y3="1.799673" z3="1.364645">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.439098" y3="2.036566" z3="0.30295">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.973822" y3="2.178871" z3="-1.133759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.922773" y3="2.200659" z3="0.471061">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.678329" y3="0.445815" z3="-0.640225">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.107005" y3="1.658534" z3="2.826632">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.164724" y3="-0.727366" z3="-1.500805">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.620455" y3="-1.07351" z3="-1.259453">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.055652" y3="-1.794743" z3="-0.127383">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.580934" y3="-0.638506" z3="-2.180772">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.553999" y3="0.679367" z3="-1.208603">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.097954" y3="-2.307924" z3="0.919435">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.423236" y3="-2.048661" z3="0.052249">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.937367" y3="-0.908278" z3="-2.003039">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.363822" y3="-1.616761" z3="-0.87991">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.341346" y3="-1.765347" z3="-1.893598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.232213" y3="-2.516826" z3="-0.843805">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.80945" y3="-0.418188" z3="-0.572318">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.749539" y3="-4.325164" z3="0.862032">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.232934" y3="-4.156684" z3="1.496928">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.467459" y3="-4.048796" z3="-0.136311">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.578827" y3="3.243514" z3="-0.128627">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.505855" y3="2.073213" z3="0.862545">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.994652" y3="3.231559" z3="-1.439545">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.666974" y3="1.647753" z3="-1.7941">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.357217" y3="2.83191" z3="-0.306398">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.175109" y3="2.591328" z3="1.452326">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.508378" y3="-1.592774" z3="-1.370693">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.042358" y3="-0.415051" z3="-2.543746">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.256086" y3="-0.080043" z3="-3.053598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.111027" y3="-1.851863" z3="0.877077">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.493576" y3="-2.174191" z3="1.926851">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.756361" y3="-2.582877" z3="0.938565">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.657514" y3="-0.560223" z3="-2.736945">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.41756" y3="-1.823992" z3="-0.724672">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.427903" y3="-2.231035" z3="-2.875036">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.297575" y3="-1.826589" z3="-1.570859">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3167,1.4815,-1.5442;-4.8343,.5654,.3937;.827,.0846,2.511;-1.3186,2.1082,3.6902;4.4085,1.3776,-.3199;-3.2392,1.1298,2.9965;-6.1185,-3.7626,-.8972;-6.9074,-1.8022,-.0649;-.2415,1.7421,1.1618;2.3598,.3772,-.2785;-5.6818,-.3595,-2.0639;-6.0644,1.7627,-1.7924;4.87,-3.808,.774;-6.3023,.0872,-3.1787;-6.5079,1.3569,-3.0068;.4798,2.1595,-.0373;1.7281,1.3935,.5099;.764,.9095,1.627;-1.6326,1.7997,1.3646;-2.4391,2.0366,.3029;-1.9738,2.1789,-1.1338;-3.9228,2.2007,.4711;3.6783,.4458,-.6402;-2.107,1.6585,2.8266;4.1647,-.7274,-1.5008;5.6205,-1.0735,-1.2595;6.0557,-1.7947,-.1274;6.5809,-.6385,-2.1808;-5.554,.6794,-1.2086;5.098,-2.3079,.9194;7.4232,-2.0487,.0522;7.9374,-.9083,-2.003;8.3638,-1.6168,-.8799;-5.3413,-1.7653,-1.8936;-6.2322,-2.5168,-.8438;1.8095,-.4182,-.5723;5.7495,-4.3252,.862;4.2329,-4.1567,1.4969;4.4675,-4.0488,-.1363;.5788,3.2435,-.1286;2.5059,2.0732,.8625;-1.9947,3.2316,-1.4395;-2.667,1.6478,-1.7941;-4.3572,2.8319,-.3064;-4.1751,2.5913,1.4523;3.5084,-1.5928,-1.3707;4.0424,-.4151,-2.5437;6.2561,-.08,-3.0536;4.111,-1.8519,.8771;5.4936,-2.1742,1.9269;7.7564,-2.5829,.9386;8.6575,-.5602,-2.7369;9.4176,-1.824,-.7247;-5.4279,-2.231,-2.875;-4.2976,-1.8266,-1.5709;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1748914 0.0397383 0.0379127</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.297089" y3="1.480947" z3="-1.543264">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.843773" y3="0.600363" z3="0.390963">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.805364" y3="0.095699" z3="2.523611">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.335638" y3="2.126902" z3="3.679025">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.397162" y3="1.413504" z3="-0.335766">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.270939" y3="1.185629" z3="2.975657">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.174198" y3="-3.748776" z3="-0.766866">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.941556" y3="-1.747372" z3="-0.015986">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.247159" y3="1.753721" z3="1.161699">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.36678" y3="0.380594" z3="-0.24859">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.665532" y3="-0.397108" z3="-2.046926">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.01659" y3="1.739385" z3="-1.857823">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.872404" y3="-3.871729" z3="0.674069">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.259182" y3="0.018943" z3="-3.187457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.446575" y3="1.297236" z3="-3.064438">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.485491" y3="2.165826" z3="-0.031861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.727788" y3="1.400173" z3="0.530112">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.751748" y3="0.918934" z3="1.637468">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.64007" y3="1.818489" z3="1.351897">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.435311" y3="2.053403" z3="0.28089">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.956621" y3="2.183424" z3="-1.152773">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.919458" y3="2.229223" z3="0.433497">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.677089" y3="0.467553" z3="-0.635173">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.127144" y3="1.690929" z3="2.81107">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.166973" y3="-0.705791" z3="-1.494614">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.620674" y3="-1.053299" z3="-1.244871">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.043904" y3="-1.813977" z3="-0.134364">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.591718" y3="-0.577843" z3="-2.134759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.534627" y3="0.669715" z3="-1.226825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.077162" y3="-2.375946" z3="0.878423">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.410313" y3="-2.066374" z3="0.054996">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.947162" y3="-0.845579" z3="-1.947188">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.361772" y3="-1.59394" z3="-0.845831">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.348687" y3="-1.800724" z3="-1.82106">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.266648" y3="-2.500172" z3="-0.758307">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.820962" y3="-0.420162" z3="-0.53584">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.759823" y3="-4.377648" z3="0.754665">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.23184" y3="-4.256401" z3="1.375411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.486104" y3="-4.083773" z3="-0.250155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.586383" y3="3.249255" z3="-0.127443">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.502447" y3="2.080959" z3="0.887706">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.973093" y3="3.234009" z3="-1.465997">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.644848" y3="1.649268" z3="-1.815786">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.344365" y3="2.845271" z3="-0.361322">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.17644" y3="2.644631" z3="1.403416">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.509614" y3="-1.570573" z3="-1.370711">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.051646" y3="-0.38937" z3="-2.537106">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.275825" y3="0.010172" z3="-2.991248">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.085548" y3="-1.929932" z3="0.840857">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.45859" y3="-2.27609" z3="1.895468">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.733409" y3="-2.633775" z3="0.923805">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.67573" y3="-0.465208" z3="-2.656299">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.414547" y3="-1.79997" z3="-0.682566">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.427775" y3="-2.300468" z3="-2.786202">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.311005" y3="-1.865367" z3="-1.479951">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2971,1.4809,-1.5433;-4.8438,.6004,.391;.8054,.0957,2.5236;-1.3356,2.1269,3.679;4.3972,1.4135,-.3358;-3.2709,1.1856,2.9757;-6.1742,-3.7488,-.7669;-6.9416,-1.7474,-.016;-.2472,1.7537,1.1617;2.3668,.3806,-.2486;-5.6655,-.3971,-2.0469;-6.0166,1.7394,-1.8578;4.8724,-3.8717,.6741;-6.2592,.0189,-3.1875;-6.4466,1.2972,-3.0644;.4855,2.1658,-.0319;1.7278,1.4002,.5301;.7517,.9189,1.6375;-1.6401,1.8185,1.3519;-2.4353,2.0534,.2809;-1.9566,2.1834,-1.1528;-3.9195,2.2292,.4335;3.6771,.4676,-.6352;-2.1271,1.6909,2.8111;4.167,-.7058,-1.4946;5.6207,-1.0533,-1.2449;6.0439,-1.814,-.1344;6.5917,-.5778,-2.1348;-5.5346,.6697,-1.2268;5.0772,-2.3759,.8784;7.4103,-2.0664,.055;7.9472,-.8456,-1.9472;8.3618,-1.5939,-.8458;-5.3487,-1.8007,-1.8211;-6.2666,-2.5002,-.7583;1.821,-.4202,-.5358;5.7598,-4.3776,.7547;4.2318,-4.2564,1.3754;4.4861,-4.0838,-.2502;.5864,3.2493,-.1274;2.5024,2.081,.8877;-1.9731,3.234,-1.466;-2.6448,1.6493,-1.8158;-4.3444,2.8453,-.3613;-4.1764,2.6446,1.4034;3.5096,-1.5706,-1.3707;4.0516,-.3894,-2.5371;6.2758,.0102,-2.9912;4.0855,-1.9299,.8409;5.4586,-2.2761,1.8955;7.7334,-2.6338,.9238;8.6757,-.4652,-2.6563;9.4145,-1.8,-.6826;-5.4278,-2.3005,-2.7862;-4.311,-1.8654,-1.48;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1745452 0.0397464 0.0379471</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.326863" y3="1.430773" z3="-1.543588">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.864351" y3="0.600699" z3="0.393135">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.794097" y3="0.072632" z3="2.522601">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.313656" y3="2.114926" z3="3.681255">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.387096" y3="1.36226" z3="-0.325356">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.268333" y3="1.199629" z3="2.998666">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.194262" y3="-3.721276" z3="-0.841155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.955347" y3="-1.731816" z3="-0.052873">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.253038" y3="1.729045" z3="1.157028">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.352106" y3="0.334479" z3="-0.259404">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.686643" y3="-0.347653" z3="-2.062806">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.045614" y3="1.783351" z3="-1.828481">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.920506" y3="-3.848577" z3="0.739518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.284751" y3="0.091396" z3="-3.193891">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.476632" y3="1.365557" z3="-3.043464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.473187" y3="2.124743" z3="-0.046264">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.71499" y3="1.357905" z3="0.51499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.743361" y3="0.892123" z3="1.632842">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.643316" y3="1.803391" z3="1.358181">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.446387" y3="2.033251" z3="0.292136">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.977473" y3="2.150435" z3="-1.14614">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.928219" y3="2.221701" z3="0.454585">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.667534" y3="0.416536" z3="-0.630223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.119243" y3="1.688858" z3="2.821822">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.166127" y3="-0.755057" z3="-1.484069">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.629412" y3="-1.073184" z3="-1.247499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.080679" y3="-1.802355" z3="-0.127492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.580249" y3="-0.598753" z3="-2.159803">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.557407" y3="0.70215" z3="-1.221814">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.13186" y3="-2.348309" z3="0.911082">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.454313" y3="-2.025977" z3="0.050882">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.942255" y3="-0.839253" z3="-1.985133">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.38463" y3="-1.556309" z3="-0.873087">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.371932" y3="-1.755889" z3="-1.865366">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.286882" y3="-2.472736" z3="-0.81288">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.808124" y3="-0.469299" z3="-0.542285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.803194" y3="-4.361108" z3="0.813297">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.289628" y3="-4.216993" z3="1.457825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.515717" y3="-4.076912" z3="-0.173006">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.579356" y3="3.206631" z3="-0.152634">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.490056" y3="2.041377" z3="0.866494">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.987989" y3="3.19847" z3="-1.467952">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.675017" y3="1.616002" z3="-1.799008">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.3503" y3="2.850669" z3="-0.331372">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.176726" y3="2.624715" z3="1.431549">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.524251" y3="-1.62973" z3="-1.344936">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.033668" y3="-0.451738" z3="-2.528533">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.242665" y3="-0.031424" z3="-3.022067">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.139136" y3="-1.904204" z3="0.874855">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.524929" y3="-2.224785" z3="1.920269">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.800222" y3="-2.563523" z3="0.930926">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.654639" y3="-0.461715" z3="-2.71202">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.442786" y3="-1.742005" z3="-0.720787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.455652" y3="-2.236739" z3="-2.839726">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.33309" y3="-1.829594" z3="-1.529484">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3269,1.4308,-1.5436;-4.8644,.6007,.3931;.7941,.0726,2.5226;-1.3137,2.1149,3.6813;4.3871,1.3623,-.3254;-3.2683,1.1996,2.9987;-6.1943,-3.7213,-.8412;-6.9553,-1.7318,-.0529;-.253,1.729,1.157;2.3521,.3345,-.2594;-5.6866,-.3477,-2.0628;-6.0456,1.7834,-1.8285;4.9205,-3.8486,.7395;-6.2848,.0914,-3.1939;-6.4766,1.3656,-3.0435;.4732,2.1247,-.0463;1.715,1.3579,.515;.7434,.8921,1.6328;-1.6433,1.8034,1.3582;-2.4464,2.0333,.2921;-1.9775,2.1504,-1.1461;-3.9282,2.2217,.4546;3.6675,.4165,-.6302;-2.1192,1.6889,2.8218;4.1661,-.7551,-1.4841;5.6294,-1.0732,-1.2475;6.0807,-1.8024,-.1275;6.5802,-.5988,-2.1598;-5.5574,.7022,-1.2218;5.1319,-2.3483,.9111;7.4543,-2.026,.0509;7.9423,-.8393,-1.9851;8.3846,-1.5563,-.8731;-5.3719,-1.7559,-1.8654;-6.2869,-2.4727,-.8129;1.8081,-.4693,-.5423;5.8032,-4.3611,.8133;4.2896,-4.217,1.4578;4.5157,-4.0769,-.173;.5794,3.2066,-.1526;2.4901,2.0414,.8665;-1.988,3.1985,-1.468;-2.675,1.616,-1.799;-4.3503,2.8507,-.3314;-4.1767,2.6247,1.4315;3.5243,-1.6297,-1.3449;4.0337,-.4517,-2.5285;6.2427,-.0314,-3.0221;4.1391,-1.9042,.8749;5.5249,-2.2248,1.9203;7.8002,-2.5635,.9309;8.6546,-.4617,-2.712;9.4428,-1.742,-.7208;-5.4557,-2.2367,-2.8397;-4.3331,-1.8296,-1.5295;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1760618 0.0395402 0.0377713</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.314859" y3="1.466234" z3="-1.543907">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.846261" y3="0.585708" z3="0.394764">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.813406" y3="0.089677" z3="2.517975">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.320986" y3="2.118658" z3="3.683879">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.39966" y3="1.386832" z3="-0.326889">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.255341" y3="1.167351" z3="2.991438">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.158079" y3="-3.748405" z3="-0.838002">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.930272" y3="-1.765966" z3="-0.042999">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.245822" y3="1.745427" z3="1.159535">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.359689" y3="0.369865" z3="-0.266304">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.67652" y3="-0.369829" z3="-2.056668">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.040375" y3="1.760274" z3="-1.82404">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.881938" y3="-3.843196" z3="0.727666">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.279517" y3="0.064935" z3="-3.185753">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.474573" y3="1.33915" z3="-3.036571">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.479204" y3="2.153952" z3="-0.040254">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.724768" y3="1.389587" z3="0.515571">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.755434" y3="0.911261" z3="1.630511">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.637342" y3="1.808609" z3="1.358712">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.440332" y3="2.041113" z3="0.293241">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.970865" y3="2.171335" z3="-1.143411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.923783" y3="2.215084" z3="0.45602">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.675334" y3="0.446934" z3="-0.636577">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.115366" y3="1.679214" z3="2.820609">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.166255" y3="-0.725991" z3="-1.494722">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.622958" y3="-1.065966" z3="-1.25051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.057157" y3="-1.804407" z3="-0.129352">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.585495" y3="-0.606198" z3="-2.157747">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.546949" y3="0.681696" z3="-1.217208">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.097802" y3="-2.344592" z3="0.902295">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.425908" y3="-2.049594" z3="0.054452">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.94294" y3="-0.868016" z3="-1.976745">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.368449" y3="-1.593256" z3="-0.863884">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.350922" y3="-1.77573" z3="-1.860167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.257879" y3="-2.500599" z3="-0.805563">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.812806" y3="-0.430366" z3="-0.553365">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.764322" y3="-4.356258" z3="0.810516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.243529" y3="-4.210236" z3="1.440259">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.486167" y3="-4.069102" z3="-0.189255">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.579775" y3="3.237123" z3="-0.138659">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.500918" y3="2.071213" z3="0.868261">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.988431" y3="3.2217" z3="-1.457311">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.663642" y3="1.637101" z3="-1.801585">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.352641" y3="2.840247" z3="-0.32932">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.176613" y3="2.617055" z3="1.432541">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.512752" y3="-1.593321" z3="-1.365489">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.045053" y3="-0.41378" z3="-2.537855">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.261146" y3="-0.034189" z3="-3.021945">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.107853" y3="-1.895033" z3="0.863015">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.486726" y3="-2.226198" z3="1.914039">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.75826" y3="-2.596453" z3="0.933433">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.664606" y3="-0.500503" z3="-2.699582">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.42286" y3="-1.794877" z3="-0.705865">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.433636" y3="-2.256982" z3="-2.834404">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.310513" y3="-1.841503" z3="-1.527486">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3149,1.4662,-1.5439;-4.8463,.5857,.3948;.8134,.0897,2.518;-1.321,2.1187,3.6839;4.3997,1.3868,-.3269;-3.2553,1.1674,2.9914;-6.1581,-3.7484,-.838;-6.9303,-1.766,-.043;-.2458,1.7454,1.1595;2.3597,.3699,-.2663;-5.6765,-.3698,-2.0567;-6.0404,1.7603,-1.824;4.8819,-3.8432,.7277;-6.2795,.0649,-3.1858;-6.4746,1.3392,-3.0366;.4792,2.154,-.0403;1.7248,1.3896,.5156;.7554,.9113,1.6305;-1.6373,1.8086,1.3587;-2.4403,2.0411,.2932;-1.9709,2.1713,-1.1434;-3.9238,2.2151,.456;3.6753,.4469,-.6366;-2.1154,1.6792,2.8206;4.1663,-.726,-1.4947;5.623,-1.066,-1.2505;6.0572,-1.8044,-.1294;6.5855,-.6062,-2.1577;-5.5469,.6817,-1.2172;5.0978,-2.3446,.9023;7.4259,-2.0496,.0545;7.9429,-.868,-1.9767;8.3684,-1.5933,-.8639;-5.3509,-1.7757,-1.8602;-6.2579,-2.5006,-.8056;1.8128,-.4304,-.5534;5.7643,-4.3563,.8105;4.2435,-4.2102,1.4403;4.4862,-4.0691,-.1893;.5798,3.2371,-.1387;2.5009,2.0712,.8683;-1.9884,3.2217,-1.4573;-2.6636,1.6371,-1.8016;-4.3526,2.8402,-.3293;-4.1766,2.6171,1.4325;3.5128,-1.5933,-1.3655;4.0451,-.4138,-2.5379;6.2611,-.0342,-3.0219;4.1079,-1.895,.863;5.4867,-2.2262,1.914;7.7583,-2.5965,.9334;8.6646,-.5005,-2.6996;9.4229,-1.7949,-.7059;-5.4336,-2.257,-2.8344;-4.3105,-1.8415,-1.5275;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1750318 0.0396981 0.0378940</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.316221" y3="1.480439" z3="-1.544117">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.83503" y3="0.56646" z3="0.392926">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.825219" y3="0.083519" z3="2.511422">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.320011" y3="2.108517" z3="3.689832">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.409389" y3="1.37537" z3="-0.315267">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.240735" y3="1.130847" z3="2.995441">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.125433" y3="-3.760812" z3="-0.894424">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.913223" y3="-1.798848" z3="-0.064814">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.241854" y3="1.741555" z3="1.161828">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.359952" y3="0.376106" z3="-0.277572">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.683952" y3="-0.359196" z3="-2.063817">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.063451" y3="1.763857" z3="-1.794137">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.874438" y3="-3.809832" z3="0.773891">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.303687" y3="0.087555" z3="-3.179059">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.507522" y3="1.357688" z3="-3.008187">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.480005" y3="2.158497" z3="-0.037097">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.727765" y3="1.392156" z3="0.510777">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.762986" y3="0.908428" z3="1.627374">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.633061" y3="1.799652" z3="1.364161">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.439106" y3="2.036576" z3="0.302127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.973201" y3="2.178503" z3="-1.134467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.922804" y3="2.201312" z3="0.469654">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.678922" y3="0.444429" z3="-0.637604">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.10817" y3="1.659022" z3="2.825936">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.165383" y3="-0.72775" z3="-1.499337">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.621408" y3="-1.073179" z3="-1.259049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.057499" y3="-1.795159" z3="-0.127894">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.581235" y3="-0.636544" z3="-2.180326">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.554575" y3="0.68027" z3="-1.209496">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.100396" y3="-2.309414" z3="0.918936">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.425302" y3="-2.048489" z3="0.050902">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.937879" y3="-0.9057" z3="-2.003472">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.365227" y3="-1.615111" z3="-0.881236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.345644" y3="-1.765405" z3="-1.89237">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.238018" y3="-2.514856" z3="-0.842444">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.809462" y3="-0.418548" z3="-0.573128">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.75464" y3="-4.325963" z3="0.86155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.238237" y3="-4.159179" z3="1.497304">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.471644" y3="-4.051225" z3="-0.136151">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.579463" y3="3.242417" z3="-0.128604">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.505395" y3="2.071795" z3="0.863907">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.993478" y3="3.231152" z3="-1.440427">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.666283" y3="1.647565" z3="-1.795011">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.356667" y3="2.832349" z3="-0.308286">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.175198" y3="2.592621" z3="1.450644">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.509707" y3="-1.593681" z3="-1.369299">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.042144" y3="-0.414851" z3="-2.542018">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.255666" y3="-0.077293" z3="-3.052381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.112865" y3="-1.854616" z3="0.876071">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.495587" y3="-2.174816" z3="1.926393">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.759127" y3="-2.58324" z3="0.936606">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.657492" y3="-0.556533" z3="-2.737369">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.419137" y3="-1.822008" z3="-0.726726">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.43252" y3="-2.231659" z3="-2.873516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.302075" y3="-1.827958" z3="-1.569239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3162,1.4804,-1.5441;-4.835,.5665,.3929;.8252,.0835,2.5114;-1.32,2.1085,3.6898;4.4094,1.3754,-.3153;-3.2407,1.1308,2.9954;-6.1254,-3.7608,-.8944;-6.9132,-1.7988,-.0648;-.2419,1.7416,1.1618;2.36,.3761,-.2776;-5.684,-.3592,-2.0638;-6.0635,1.7639,-1.7941;4.8744,-3.8098,.7739;-6.3037,.0876,-3.1791;-6.5075,1.3577,-3.0082;.48,2.1585,-.0371;1.7278,1.3922,.5108;.763,.9084,1.6274;-1.6331,1.7997,1.3642;-2.4391,2.0366,.3021;-1.9732,2.1785,-1.1345;-3.9228,2.2013,.4697;3.6789,.4444,-.6376;-2.1082,1.659,2.8259;4.1654,-.7278,-1.4993;5.6214,-1.0732,-1.259;6.0575,-1.7952,-.1279;6.5812,-.6365,-2.1803;-5.5546,.6803,-1.2095;5.1004,-2.3094,.9189;7.4253,-2.0485,.0509;7.9379,-.9057,-2.0035;8.3652,-1.6151,-.8812;-5.3456,-1.7654,-1.8924;-6.238,-2.5149,-.8424;1.8095,-.4185,-.5731;5.7546,-4.326,.8616;4.2382,-4.1592,1.4973;4.4716,-4.0512,-.1362;.5795,3.2424,-.1286;2.5054,2.0718,.8639;-1.9935,3.2312,-1.4404;-2.6663,1.6476,-1.795;-4.3567,2.8323,-.3083;-4.1752,2.5926,1.4506;3.5097,-1.5937,-1.3693;4.0421,-.4149,-2.542;6.2557,-.0773,-3.0524;4.1129,-1.8546,.8761;5.4956,-2.1748,1.9264;7.7591,-2.5832,.9366;8.6575,-.5565,-2.7374;9.4191,-1.822,-.7267;-5.4325,-2.2317,-2.8735;-4.3021,-1.828,-1.5692;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1749429 0.0397149 0.0378938</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.315985" y3="1.481601" z3="-1.544223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.834396" y3="0.565841" z3="0.392587">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.825665" y3="0.083628" z3="2.510745">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.319438" y3="2.108027" z3="3.68993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.409642" y3="1.375674" z3="-0.316097">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.240244" y3="1.130619" z3="2.995498">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.126602" y3="-3.761095" z3="-0.89349">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.914002" y3="-1.79861" z3="-0.064701">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.241471" y3="1.742221" z3="1.161848">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.359983" y3="0.376781" z3="-0.278146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.684109" y3="-0.359946" z3="-2.06379">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.062371" y3="1.763384" z3="-1.794708">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.873905" y3="-3.810199" z3="0.773422">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.303614" y3="0.086803" z3="-3.179162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.506715" y3="1.3571" z3="-3.008616">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.480319" y3="2.159313" z3="-0.03713">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.728072" y3="1.392816" z3="0.510486">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.763402" y3="0.908942" z3="1.627097">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.63275" y3="1.799755" z3="1.364175">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.438901" y3="2.036728" z3="0.302242">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.972962" y3="2.179483" z3="-1.134261">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.922638" y3="2.200953" z3="0.469689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.67897" y3="0.444801" z3="-0.638174">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.107684" y3="1.658758" z3="2.825983">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.165316" y3="-0.727765" z3="-1.499455">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.621327" y3="-1.073183" z3="-1.258972">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.05723" y3="-1.795342" z3="-0.127877">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.581328" y3="-0.636323" z3="-2.179956">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.554009" y3="0.679698" z3="-1.209797">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.099923" y3="-2.30979" z3="0.918704">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.42503" y3="-2.048599" z3="0.05119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.937971" y3="-0.905336" z3="-2.002802">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.365145" y3="-1.61491" z3="-0.880601">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.346304" y3="-1.76625" z3="-1.892076">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.238856" y3="-2.515092" z3="-0.84193">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.809419" y3="-0.417925" z3="-0.573408">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.7541" y3="-4.326296" z3="0.861155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.237619" y3="-4.159653" z3="1.496722">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.471264" y3="-4.051495" z3="-0.136729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.579877" y3="3.243249" z3="-0.128418">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.505925" y3="2.072244" z3="0.863495">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.993155" y3="3.232317" z3="-1.439599">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.666044" y3="1.648984" z3="-1.79515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.356615" y3="2.832127" z3="-0.308091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.175171" y3="2.591905" z3="1.450781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.509507" y3="-1.593588" z3="-1.369184">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.042208" y3="-0.415185" z3="-2.542237">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.255907" y3="-0.076971" z3="-3.051998">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.112413" y3="-1.854961" z3="0.875727">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.494975" y3="-2.175363" z3="1.926232">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.758636" y3="-2.583595" z3="0.936847">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.657717" y3="-0.555945" z3="-2.736464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.419034" y3="-1.821767" z3="-0.725899">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.433402" y3="-2.232722" z3="-2.873097">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.30274" y3="-1.829055" z3="-1.568975">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.316,1.4816,-1.5442;-4.8344,.5658,.3926;.8257,.0836,2.5107;-1.3194,2.108,3.6899;4.4096,1.3757,-.3161;-3.2402,1.1306,2.9955;-6.1266,-3.7611,-.8935;-6.914,-1.7986,-.0647;-.2415,1.7422,1.1618;2.36,.3768,-.2781;-5.6841,-.3599,-2.0638;-6.0624,1.7634,-1.7947;4.8739,-3.8102,.7734;-6.3036,.0868,-3.1792;-6.5067,1.3571,-3.0086;.4803,2.1593,-.0371;1.7281,1.3928,.5105;.7634,.9089,1.6271;-1.6327,1.7998,1.3642;-2.4389,2.0367,.3022;-1.973,2.1795,-1.1343;-3.9226,2.201,.4697;3.679,.4448,-.6382;-2.1077,1.6588,2.826;4.1653,-.7278,-1.4995;5.6213,-1.0732,-1.259;6.0572,-1.7953,-.1279;6.5813,-.6363,-2.18;-5.554,.6797,-1.2098;5.0999,-2.3098,.9187;7.425,-2.0486,.0512;7.938,-.9053,-2.0028;8.3651,-1.6149,-.8806;-5.3463,-1.7663,-1.8921;-6.2389,-2.5151,-.8419;1.8094,-.4179,-.5734;5.7541,-4.3263,.8612;4.2376,-4.1597,1.4967;4.4713,-4.0515,-.1367;.5799,3.2432,-.1284;2.5059,2.0722,.8635;-1.9932,3.2323,-1.4396;-2.666,1.649,-1.7952;-4.3566,2.8321,-.3081;-4.1752,2.5919,1.4508;3.5095,-1.5936,-1.3692;4.0422,-.4152,-2.5422;6.2559,-.077,-3.052;4.1124,-1.855,.8757;5.495,-2.1754,1.9262;7.7586,-2.5836,.9368;8.6577,-.5559,-2.7365;9.419,-1.8218,-.7259;-5.4334,-2.2327,-2.8731;-4.3027,-1.8291,-1.569;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1749198 0.0397153 0.0378947</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.315842" y3="1.48181" z3="-1.544133">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.834459" y3="0.566023" z3="0.392694">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.825409" y3="0.082978" z3="2.510556">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.319766" y3="2.107996" z3="3.689856">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.410341" y3="1.375335" z3="-0.313846">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.24013" y3="1.129726" z3="2.995331">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.126897" y3="-3.761484" z3="-0.892785">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.913986" y3="-1.79887" z3="-0.064055">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.241483" y3="1.74196" z3="1.161952">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.360291" y3="0.37701" z3="-0.278285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.683951" y3="-0.360455" z3="-2.063544">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.061991" y3="1.763004" z3="-1.795192">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.87249" y3="-3.809245" z3="0.772997">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.303453" y3="0.086023" z3="-3.179051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.506421" y3="1.356389" z3="-3.008956">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.480388" y3="2.159287" z3="-0.03686">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.728089" y3="1.392608" z3="0.51066">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.763296" y3="0.908451" z3="1.627039">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.632764" y3="1.799604" z3="1.364155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.438833" y3="2.036869" z3="0.302209">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.972805" y3="2.179769" z3="-1.134237">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.922621" y3="2.201091" z3="0.469536">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.679554" y3="0.44505" z3="-0.637406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.107799" y3="1.658403" z3="2.825883">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.165969" y3="-0.7266" z3="-1.499853">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.621764" y3="-1.072743" z3="-1.25927">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.057153" y3="-1.795065" z3="-0.128051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.582066" y3="-0.636522" z3="-2.18022">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.553812" y3="0.679446" z3="-1.209869">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.099421" y3="-2.308998" z3="0.918395">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.424802" y3="-2.048984" z3="0.051193">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.938546" y3="-0.906286" z3="-2.002927">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.365228" y3="-1.615927" z3="-0.880592">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.34628" y3="-1.766774" z3="-1.891483">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.238984" y3="-2.515453" z3="-0.841329">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.809766" y3="-0.417378" z3="-0.574505">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.752272" y3="-4.325985" z3="0.860941">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.235764" y3="-4.158265" z3="1.496103">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.469927" y3="-4.050247" z3="-0.137229">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.579911" y3="3.24323" z3="-0.127947">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.505769" y3="2.071983" z3="0.864191">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.992947" y3="3.232615" z3="-1.439521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.665843" y3="1.649323" z3="-1.795217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.356569" y3="2.831972" z3="-0.30849">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.175365" y3="2.592492" z3="1.450399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.509894" y3="-1.592383" z3="-1.370715">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.043184" y3="-0.412855" z3="-2.542323">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.257054" y3="-0.076992" z3="-3.052303">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.112182" y3="-1.853565" z3="0.875437">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.494516" y3="-2.174993" z3="1.925955">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.758081" y3="-2.583992" z3="0.936968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.658555" y3="-0.557352" z3="-2.736547">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.419001" y3="-1.823265" z3="-0.72574">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.433253" y3="-2.233393" z3="-2.872442">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.302774" y3="-1.829589" z3="-1.568191">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3158,1.4818,-1.5441;-4.8345,.566,.3927;.8254,.083,2.5106;-1.3198,2.108,3.6899;4.4103,1.3753,-.3138;-3.2401,1.1297,2.9953;-6.1269,-3.7615,-.8928;-6.914,-1.7989,-.0641;-.2415,1.742,1.162;2.3603,.377,-.2783;-5.684,-.3605,-2.0635;-6.062,1.763,-1.7952;4.8725,-3.8092,.773;-6.3035,.086,-3.1791;-6.5064,1.3564,-3.009;.4804,2.1593,-.0369;1.7281,1.3926,.5107;.7633,.9085,1.627;-1.6328,1.7996,1.3642;-2.4388,2.0369,.3022;-1.9728,2.1798,-1.1342;-3.9226,2.2011,.4695;3.6796,.4451,-.6374;-2.1078,1.6584,2.8259;4.166,-.7266,-1.4999;5.6218,-1.0727,-1.2593;6.0572,-1.7951,-.1281;6.5821,-.6365,-2.1802;-5.5538,.6794,-1.2099;5.0994,-2.309,.9184;7.4248,-2.049,.0512;7.9385,-.9063,-2.0029;8.3652,-1.6159,-.8806;-5.3463,-1.7668,-1.8915;-6.239,-2.5155,-.8413;1.8098,-.4174,-.5745;5.7523,-4.326,.8609;4.2358,-4.1583,1.4961;4.4699,-4.0502,-.1372;.5799,3.2432,-.1279;2.5058,2.072,.8642;-1.9929,3.2326,-1.4395;-2.6658,1.6493,-1.7952;-4.3566,2.832,-.3085;-4.1754,2.5925,1.4504;3.5099,-1.5924,-1.3707;4.0432,-.4129,-2.5423;6.2571,-.077,-3.0523;4.1122,-1.8536,.8754;5.4945,-2.175,1.926;7.7581,-2.584,.937;8.6586,-.5574,-2.7365;9.419,-1.8233,-.7257;-5.4333,-2.2334,-2.8724;-4.3028,-1.8296,-1.5682;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1749237 0.0397153 0.0378949</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.31578" y3="1.480827" z3="-1.543817">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.834295" y3="0.565587" z3="0.392085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.825405" y3="0.083663" z3="2.511717">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.320494" y3="2.108203" z3="3.690119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.409568" y3="1.375372" z3="-0.315763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.240309" y3="1.129222" z3="2.995025">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.126883" y3="-3.760971" z3="-0.895933">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.914087" y3="-1.799215" z3="-0.065261">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.241545" y3="1.741806" z3="1.162175">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.360076" y3="0.376105" z3="-0.277259">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.685388" y3="-0.358906" z3="-2.064369">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.063615" y3="1.764231" z3="-1.793835">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.875407" y3="-3.809314" z3="0.775687">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.305665" y3="0.088487" z3="-3.179077">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.508717" y3="1.358663" z3="-3.007709">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.480401" y3="2.15874" z3="-0.036731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.728074" y3="1.392248" z3="0.51113">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.763267" y3="0.908645" z3="1.627743">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.632806" y3="1.79956" z3="1.364297">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.438808" y3="2.036552" z3="0.302248">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.972727" y3="2.179007" z3="-1.134221">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.922587" y3="2.200715" z3="0.469581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.678999" y3="0.444309" z3="-0.637547">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.108111" y3="1.658294" z3="2.825941">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.16532" y3="-0.728222" z3="-1.498872">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.62151" y3="-1.073376" z3="-1.259046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.058138" y3="-1.795016" z3="-0.127881">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.580911" y3="-0.637077" z3="-2.180917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.554835" y3="0.680248" z3="-1.209842">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.101505" y3="-2.308806" z3="0.919642">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.426045" y3="-2.048281" z3="0.050389">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.937653" y3="-0.906096" z3="-2.004551">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.365539" y3="-1.615142" z3="-0.88228">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.347539" y3="-1.76534" z3="-1.893717">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.239385" y3="-2.515015" z3="-0.843512">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.809521" y3="-0.418616" z3="-0.572523">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.755619" y3="-4.325366" z3="0.863247">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.23961" y3="-4.158176" z3="1.499712">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.47214" y3="-4.051333" z3="-0.133971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.579955" y3="3.242657" z3="-0.12815">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.505817" y3="2.071743" z3="0.864281">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.992816" y3="3.231758" z3="-1.439832">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.665777" y3="1.648369" z3="-1.795037">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.356516" y3="2.831866" z3="-0.308225">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.175292" y3="2.591658" z3="1.450634">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.509778" y3="-1.594191" z3="-1.3682">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.041677" y3="-0.415784" z3="-2.54163">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.254923" y3="-0.078148" z3="-3.05302">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.113946" y3="-1.854112" z3="0.876949">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.497159" y3="-2.173642" z3="1.926816">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.760255" y3="-2.582868" z3="0.936088">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.656926" y3="-0.557145" z3="-2.738885">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.419512" y3="-1.822047" z3="-0.728217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.435262" y3="-2.231153" z3="-2.874996">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.303767" y3="-1.828389" z3="-1.571342">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3158,1.4808,-1.5438;-4.8343,.5656,.3921;.8254,.0837,2.5117;-1.3205,2.1082,3.6901;4.4096,1.3754,-.3158;-3.2403,1.1292,2.995;-6.1269,-3.761,-.8959;-6.9141,-1.7992,-.0653;-.2415,1.7418,1.1622;2.3601,.3761,-.2773;-5.6854,-.3589,-2.0644;-6.0636,1.7642,-1.7938;4.8754,-3.8093,.7757;-6.3057,.0885,-3.1791;-6.5087,1.3587,-3.0077;.4804,2.1587,-.0367;1.7281,1.3922,.5111;.7633,.9086,1.6277;-1.6328,1.7996,1.3643;-2.4388,2.0366,.3022;-1.9727,2.179,-1.1342;-3.9226,2.2007,.4696;3.679,.4443,-.6375;-2.1081,1.6583,2.8259;4.1653,-.7282,-1.4989;5.6215,-1.0734,-1.259;6.0581,-1.795,-.1279;6.5809,-.6371,-2.1809;-5.5548,.6802,-1.2098;5.1015,-2.3088,.9196;7.426,-2.0483,.0504;7.9377,-.9061,-2.0046;8.3655,-1.6151,-.8823;-5.3475,-1.7653,-1.8937;-6.2394,-2.515,-.8435;1.8095,-.4186,-.5725;5.7556,-4.3254,.8632;4.2396,-4.1582,1.4997;4.4721,-4.0513,-.134;.58,3.2427,-.1281;2.5058,2.0717,.8643;-1.9928,3.2318,-1.4398;-2.6658,1.6484,-1.795;-4.3565,2.8319,-.3082;-4.1753,2.5917,1.4506;3.5098,-1.5942,-1.3682;4.0417,-.4158,-2.5416;6.2549,-.0781,-3.053;4.1139,-1.8541,.8769;5.4972,-2.1736,1.9268;7.7603,-2.5829,.9361;8.6569,-.5571,-2.7389;9.4195,-1.822,-.7282;-5.4353,-2.2312,-2.875;-4.3038,-1.8284,-1.5713;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1749292 0.0397081 0.0378878</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.315431" y3="1.481406" z3="-1.544189">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.834053" y3="0.565648" z3="0.392287">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.825715" y3="0.083507" z3="2.51092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.320008" y3="2.107941" z3="3.689857">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.410567" y3="1.375628" z3="-0.313824">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.240296" y3="1.129914" z3="2.994712">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.128673" y3="-3.761319" z3="-0.893018">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.915705" y3="-1.798706" z3="-0.064223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.241311" y3="1.742014" z3="1.161829">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.360681" y3="0.3771" z3="-0.277909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.685192" y3="-0.360219" z3="-2.063583">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.062474" y3="1.763294" z3="-1.794724">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.872949" y3="-3.80934" z3="0.772946">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.305119" y3="0.086599" z3="-3.178736">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.507575" y3="1.356996" z3="-3.008365">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.480614" y3="2.159242" z3="-0.036975">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.728349" y3="1.392786" z3="0.510776">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.763515" y3="0.908675" z3="1.627135">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.63258" y3="1.799701" z3="1.363988">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.438616" y3="2.036632" z3="0.301968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.972584" y3="2.179093" z3="-1.134525">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.922387" y3="2.200809" z3="0.469321">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.679912" y3="0.445157" z3="-0.637113">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.107852" y3="1.658464" z3="2.825639">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.166438" y3="-0.726664" z3="-1.499326">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.622308" y3="-1.072613" z3="-1.258914">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.057871" y3="-1.795058" z3="-0.127854">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.58246" y3="-0.636275" z3="-2.179966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.554271" y3="0.679526" z3="-1.20984">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.100246" y3="-2.309154" z3="0.918637">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.42557" y3="-2.048955" z3="0.051159">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.938985" y3="-0.905955" z3="-2.002863">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.36586" y3="-1.615703" z3="-0.880667">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.348089" y3="-1.766708" z3="-1.891814">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.24078" y3="-2.515286" z3="-0.841542">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.810009" y3="-0.417019" z3="-0.574575">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.752663" y3="-4.326223" z3="0.860642">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.236439" y3="-4.158415" z3="1.496236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.470048" y3="-4.05011" z3="-0.137217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.580007" y3="3.243186" z3="-0.128257">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.505911" y3="2.072297" z3="0.864298">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.992972" y3="3.231831" z3="-1.440167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.665514" y3="1.648236" z3="-1.795293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.356334" y3="2.831762" z3="-0.308639">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.17509" y3="2.59195" z3="1.4503">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.510612" y3="-1.592594" z3="-1.369915">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.043553" y3="-0.413148" z3="-2.541854">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.257286" y3="-0.07677" z3="-3.0520">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.11307" y3="-1.853585" z3="0.875947">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.495522" y3="-2.175388" z3="1.926139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.758924" y3="-2.5842" z3="0.936777">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.65887" y3="-0.556955" z3="-2.736575">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.419652" y3="-1.823086" z3="-0.726016">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.435543" y3="-2.233144" z3="-2.872822">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.304509" y3="-1.830016" z3="-1.568874">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3154,1.4814,-1.5442;-4.8341,.5656,.3923;.8257,.0835,2.5109;-1.32,2.1079,3.6899;4.4106,1.3756,-.3138;-3.2403,1.1299,2.9947;-6.1287,-3.7613,-.893;-6.9157,-1.7987,-.0642;-.2413,1.742,1.1618;2.3607,.3771,-.2779;-5.6852,-.3602,-2.0636;-6.0625,1.7633,-1.7947;4.8729,-3.8093,.7729;-6.3051,.0866,-3.1787;-6.5076,1.357,-3.0084;.4806,2.1592,-.037;1.7283,1.3928,.5108;.7635,.9087,1.6271;-1.6326,1.7997,1.364;-2.4386,2.0366,.302;-1.9726,2.1791,-1.1345;-3.9224,2.2008,.4693;3.6799,.4452,-.6371;-2.1079,1.6585,2.8256;4.1664,-.7267,-1.4993;5.6223,-1.0726,-1.2589;6.0579,-1.7951,-.1279;6.5825,-.6363,-2.18;-5.5543,.6795,-1.2098;5.1002,-2.3092,.9186;7.4256,-2.049,.0512;7.939,-.906,-2.0029;8.3659,-1.6157,-.8807;-5.3481,-1.7667,-1.8918;-6.2408,-2.5153,-.8415;1.81,-.417,-.5746;5.7527,-4.3262,.8606;4.2364,-4.1584,1.4962;4.47,-4.0501,-.1372;.58,3.2432,-.1283;2.5059,2.0723,.8643;-1.993,3.2318,-1.4402;-2.6655,1.6482,-1.7953;-4.3563,2.8318,-.3086;-4.1751,2.592,1.4503;3.5106,-1.5926,-1.3699;4.0436,-.4131,-2.5419;6.2573,-.0768,-3.052;4.1131,-1.8536,.8759;5.4955,-2.1754,1.9261;7.7589,-2.5842,.9368;8.6589,-.557,-2.7366;9.4197,-1.8231,-.726;-5.4355,-2.2331,-2.8728;-4.3045,-1.83,-1.5689;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1749375 0.0397067 0.0378871</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.315504" y3="1.482235" z3="-1.544359">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.833594" y3="0.564838" z3="0.392328">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.825959" y3="0.083181" z3="2.510215">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.319833" y3="2.10733" z3="3.689809">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.410774" y3="1.375727" z3="-0.31415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.23973" y3="1.128574" z3="2.994704">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.127506" y3="-3.761745" z3="-0.894287">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.914135" y3="-1.799626" z3="-0.063977">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.241127" y3="1.74214" z3="1.16178">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.36068" y3="0.37753" z3="-0.278549">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.685492" y3="-0.360139" z3="-2.063596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.062963" y3="1.763264" z3="-1.793736">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.87289" y3="-3.808754" z3="0.774406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.305808" y3="0.087074" z3="-3.178358">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.508493" y3="1.357363" z3="-3.007343">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.48067" y3="2.159638" z3="-0.037037">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.728481" y3="1.393078" z3="0.510413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.763752" y3="0.908721" z3="1.626778">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.632423" y3="1.799339" z3="1.363969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.438559" y3="2.036513" z3="0.302088">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.972561" y3="2.179894" z3="-1.134319">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.922371" y3="2.200224" z3="0.469625">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.679969" y3="0.44544" z3="-0.637613">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.107547" y3="1.657658" z3="2.82561">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.166311" y3="-0.726512" z3="-1.499728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.622077" y3="-1.072837" z3="-1.259116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.057493" y3="-1.795138" z3="-0.127908">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.58234" y3="-0.636868" z3="-2.18025">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.554384" y3="0.679303" z3="-1.209507">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.09987" y3="-2.308444" z3="0.91893">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.425106" y3="-2.049363" z3="0.051103">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.938777" y3="-0.906874" z3="-2.003153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.36547" y3="-1.616565" z3="-0.880839">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.347843" y3="-1.766582" z3="-1.892619">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.239691" y3="-2.51577" z3="-0.842116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.810088" y3="-0.416786" z3="-0.574839">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.752569" y3="-4.325605" z3="0.862905">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.235908" y3="-4.157305" z3="1.497524">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.470508" y3="-4.050119" z3="-0.135822">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.580118" y3="3.2436" z3="-0.128047">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.506159" y3="2.072487" z3="0.86384">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.992839" y3="3.232824" z3="-1.43932">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.66554" y3="1.649527" z3="-1.795429">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.356589" y3="2.831306" z3="-0.308073">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.175035" y3="2.591173" z3="1.450698">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.5101" y3="-1.592134" z3="-1.370413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.043618" y3="-0.413013" z3="-2.542282">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.257275" y3="-0.077403" z3="-3.052358">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.112654" y3="-1.85299" z3="0.875589">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.494995" y3="-2.173684" z3="1.926396">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.758466" y3="-2.584245" z3="0.936897">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.658742" y3="-0.558121" z3="-2.736902">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.419214" y3="-1.824166" z3="-0.726142">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.435771" y3="-2.232663" z3="-2.873753">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.304043" y3="-1.829737" z3="-1.570327">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3155,1.4822,-1.5444;-4.8336,.5648,.3923;.826,.0832,2.5102;-1.3198,2.1073,3.6898;4.4108,1.3757,-.3141;-3.2397,1.1286,2.9947;-6.1275,-3.7617,-.8943;-6.9141,-1.7996,-.064;-.2411,1.7421,1.1618;2.3607,.3775,-.2785;-5.6855,-.3601,-2.0636;-6.063,1.7633,-1.7937;4.8729,-3.8088,.7744;-6.3058,.0871,-3.1784;-6.5085,1.3574,-3.0073;.4807,2.1596,-.037;1.7285,1.3931,.5104;.7638,.9087,1.6268;-1.6324,1.7993,1.364;-2.4386,2.0365,.3021;-1.9726,2.1799,-1.1343;-3.9224,2.2002,.4696;3.68,.4454,-.6376;-2.1075,1.6577,2.8256;4.1663,-.7265,-1.4997;5.6221,-1.0728,-1.2591;6.0575,-1.7951,-.1279;6.5823,-.6369,-2.1803;-5.5544,.6793,-1.2095;5.0999,-2.3084,.9189;7.4251,-2.0494,.0511;7.9388,-.9069,-2.0032;8.3655,-1.6166,-.8808;-5.3478,-1.7666,-1.8926;-6.2397,-2.5158,-.8421;1.8101,-.4168,-.5748;5.7526,-4.3256,.8629;4.2359,-4.1573,1.4975;4.4705,-4.0501,-.1358;.5801,3.2436,-.128;2.5062,2.0725,.8638;-1.9928,3.2328,-1.4393;-2.6655,1.6495,-1.7954;-4.3566,2.8313,-.3081;-4.175,2.5912,1.4507;3.5101,-1.5921,-1.3704;4.0436,-.413,-2.5423;6.2573,-.0774,-3.0524;4.1127,-1.853,.8756;5.495,-2.1737,1.9264;7.7585,-2.5842,.9369;8.6587,-.5581,-2.7369;9.4192,-1.8242,-.7261;-5.4358,-2.2327,-2.8738;-4.304,-1.8297,-1.5703;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1749347 0.0397091 0.0378899</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.314231" y3="1.481486" z3="-1.544309">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.833583" y3="0.565929" z3="0.392425">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.825276" y3="0.081983" z3="2.510648">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.320618" y3="2.10788" z3="3.689218">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.409139" y3="1.376531" z3="-0.319024">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.239784" y3="1.128032" z3="2.993601">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.129393" y3="-3.761105" z3="-0.892085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.916173" y3="-1.798721" z3="-0.062603">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.240618" y3="1.741422" z3="1.161906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.360641" y3="0.375252" z3="-0.277667">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.68653" y3="-0.359875" z3="-2.062986">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.061832" y3="1.763944" z3="-1.794504">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.873273" y3="-3.809529" z3="0.773283">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.306364" y3="0.087191" z3="-3.178033">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.507683" y3="1.357811" z3="-3.007891">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.481703" y3="2.158541" z3="-0.036681">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.729039" y3="1.391422" z3="0.511053">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.763767" y3="0.907646" z3="1.627259">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.631966" y3="1.799045" z3="1.363425">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.437672" y3="2.036456" z3="0.301271">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.9712" y3="2.179753" z3="-1.134948">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.921414" y3="2.200714" z3="0.468656">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.679128" y3="0.44457" z3="-0.639473">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.107769" y3="1.657651" z3="2.824802">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.165971" y3="-0.727658" z3="-1.500863">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.621893" y3="-1.072778" z3="-1.259447">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.057227" y3="-1.79497" z3="-0.128086">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.582438" y3="-0.635258" z3="-2.179507">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.554281" y3="0.679941" z3="-1.209513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.099497" y3="-2.309176" z3="0.91825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.425005" y3="-2.047953" z3="0.051844">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.939045" y3="-0.903951" z3="-2.001466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.365636" y3="-1.613795" z3="-0.87922">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.349744" y3="-1.766448" z3="-1.891413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.241729" y3="-2.515073" z3="-0.840557">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.810224" y3="-0.41988" z3="-0.572096">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.753368" y3="-4.325571" z3="0.861425">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.23695" y3="-4.158794" z3="1.496636">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.470726" y3="-4.051191" z3="-0.13673">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.581635" y3="3.242458" z3="-0.127573">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.507077" y3="2.070445" z3="0.864471">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.991046" y3="3.23268" z3="-1.439977">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.664081" y3="1.649659" z3="-1.796372">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.355628" y3="2.831512" z3="-0.309283">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.174074" y3="2.592135" z3="1.449542">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.510191" y3="-1.59358" z3="-1.371257">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.043497" y3="-0.414653" z3="-2.543576">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.257503" y3="-0.07566" z3="-3.051565">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.112065" y3="-1.854301" z3="0.875046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.494324" y3="-2.174665" z3="1.9258">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.758112" y3="-2.583247" z3="0.937598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.659208" y3="-0.554103" z3="-2.734504">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.419465" y3="-1.820475" z3="-0.723907">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.438052" y3="-2.232788" z3="-2.872388">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.305908" y3="-1.830102" z3="-1.569313">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3142,1.4815,-1.5443;-4.8336,.5659,.3924;.8253,.082,2.5106;-1.3206,2.1079,3.6892;4.4091,1.3765,-.319;-3.2398,1.128,2.9936;-6.1294,-3.7611,-.8921;-6.9162,-1.7987,-.0626;-.2406,1.7414,1.1619;2.3606,.3753,-.2777;-5.6865,-.3599,-2.063;-6.0618,1.7639,-1.7945;4.8733,-3.8095,.7733;-6.3064,.0872,-3.178;-6.5077,1.3578,-3.0079;.4817,2.1585,-.0367;1.729,1.3914,.5111;.7638,.9076,1.6273;-1.632,1.799,1.3634;-2.4377,2.0365,.3013;-1.9712,2.1798,-1.1349;-3.9214,2.2007,.4687;3.6791,.4446,-.6395;-2.1078,1.6577,2.8248;4.166,-.7277,-1.5009;5.6219,-1.0728,-1.2594;6.0572,-1.795,-.1281;6.5824,-.6353,-2.1795;-5.5543,.6799,-1.2095;5.0995,-2.3092,.9183;7.425,-2.048,.0518;7.939,-.904,-2.0015;8.3656,-1.6138,-.8792;-5.3497,-1.7664,-1.8914;-6.2417,-2.5151,-.8406;1.8102,-.4199,-.5721;5.7534,-4.3256,.8614;4.237,-4.1588,1.4966;4.4707,-4.0512,-.1367;.5816,3.2425,-.1276;2.5071,2.0704,.8645;-1.991,3.2327,-1.44;-2.6641,1.6497,-1.7964;-4.3556,2.8315,-.3093;-4.1741,2.5921,1.4495;3.5102,-1.5936,-1.3713;4.0435,-.4147,-2.5436;6.2575,-.0757,-3.0516;4.1121,-1.8543,.875;5.4943,-2.1747,1.9258;7.7581,-2.5832,.9376;8.6592,-.5541,-2.7345;9.4195,-1.8205,-.7239;-5.4381,-2.2328,-2.8724;-4.3059,-1.8301,-1.5693;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1749785 0.0397059 0.0378913</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.315713" y3="1.476623" z3="-1.545423">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.836477" y3="0.570473" z3="0.393126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.823747" y3="0.085055" z3="2.511605">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.319404" y3="2.112478" z3="3.687238">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.408442" y3="1.378195" z3="-0.318018">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.242176" y3="1.137967" z3="2.994114">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.132888" y3="-3.758848" z3="-0.881236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.916577" y3="-1.793097" z3="-0.056601">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.242041" y3="1.742254" z3="1.159909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.361053" y3="0.374802" z3="-0.276452">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.686306" y3="-0.361333" z3="-2.060835">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.062446" y3="1.763097" z3="-1.797984">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.874198" y3="-3.817597" z3="0.760622">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.305377" y3="0.082834" z3="-3.177569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.50703" y3="1.353808" z3="-3.010846">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.480296" y3="2.157137" z3="-0.039412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.727727" y3="1.391433" z3="0.510214">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.76222" y3="0.908996" z3="1.626614">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.633191" y3="1.801807" z3="1.361916">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.438822" y3="2.037652" z3="0.299268">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.972483" y3="2.17628" z3="-1.137537">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.922406" y3="2.204424" z3="0.465972">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.679476" y3="0.445271" z3="-0.638098">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.10857" y3="1.663719" z3="2.823854">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.167725" y3="-0.726847" z3="-1.498838">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.623752" y3="-1.071041" z3="-1.256383">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.058272" y3="-1.797043" z3="-0.127169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.585157" y3="-0.628969" z3="-2.173414">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.555397" y3="0.680604" z3="-1.209794">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.099406" y3="-2.317972" z3="0.914776">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.426134" y3="-2.048513" z3="0.054239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.941847" y3="-0.896313" z3="-1.994082">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.367655" y3="-1.609464" z3="-0.873618">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.349976" y3="-1.767518" z3="-1.885102">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.243151" y3="-2.512488" z3="-0.832659">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.811502" y3="-0.420936" z3="-0.570843">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.754295" y3="-4.333846" z3="0.847817">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.23622" y3="-4.171103" z3="1.480446">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.47398" y3="-4.054409" z3="-0.151724">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.579907" y3="3.240887" z3="-0.13268">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.50468" y3="2.071813" z3="0.863483">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.992132" y3="3.228291" z3="-1.445683">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.665703" y3="1.644337" z3="-1.797115">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.355257" y3="2.833895" z3="-0.313808">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.174755" y3="2.598344" z3="1.445917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.512379" y3="-1.593169" z3="-1.369763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.045818" y3="-0.413904" z3="-2.541659">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.260832" y3="-0.066776" z3="-3.04403">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.111825" y3="-1.863332" z3="0.873062">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.492759" y3="-2.189466" z3="1.92366">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.758469" y3="-2.586744" z3="0.938492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.662725" y3="-0.542841" z3="-2.724674">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.421553" y3="-1.815006" z3="-0.717246">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.437655" y3="-2.236611" z3="-2.864815">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.306466" y3="-1.830503" z3="-1.561893">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3157,1.4766,-1.5454;-4.8365,.5705,.3931;.8237,.0851,2.5116;-1.3194,2.1125,3.6872;4.4084,1.3782,-.318;-3.2422,1.138,2.9941;-6.1329,-3.7588,-.8812;-6.9166,-1.7931,-.0566;-.242,1.7423,1.1599;2.3611,.3748,-.2765;-5.6863,-.3613,-2.0608;-6.0624,1.7631,-1.798;4.8742,-3.8176,.7606;-6.3054,.0828,-3.1776;-6.507,1.3538,-3.0108;.4803,2.1571,-.0394;1.7277,1.3914,.5102;.7622,.909,1.6266;-1.6332,1.8018,1.3619;-2.4388,2.0377,.2993;-1.9725,2.1763,-1.1375;-3.9224,2.2044,.466;3.6795,.4453,-.6381;-2.1086,1.6637,2.8239;4.1677,-.7268,-1.4988;5.6238,-1.071,-1.2564;6.0583,-1.797,-.1272;6.5852,-.629,-2.1734;-5.5554,.6806,-1.2098;5.0994,-2.318,.9148;7.4261,-2.0485,.0542;7.9418,-.8963,-1.9941;8.3677,-1.6095,-.8736;-5.35,-1.7675,-1.8851;-6.2432,-2.5125,-.8327;1.8115,-.4209,-.5708;5.7543,-4.3338,.8478;4.2362,-4.1711,1.4804;4.474,-4.0544,-.1517;.5799,3.2409,-.1327;2.5047,2.0718,.8635;-1.9921,3.2283,-1.4457;-2.6657,1.6443,-1.7971;-4.3553,2.8339,-.3138;-4.1748,2.5983,1.4459;3.5124,-1.5932,-1.3698;4.0458,-.4139,-2.5417;6.2608,-.0668,-3.044;4.1118,-1.8633,.8731;5.4928,-2.1895,1.9237;7.7585,-2.5867,.9385;8.6627,-.5428,-2.7247;9.4216,-1.815,-.7172;-5.4377,-2.2366,-2.8648;-4.3065,-1.8305,-1.5619;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1750445 0.0396934 0.0378795</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.316502" y3="1.478762" z3="-1.548177">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.837261" y3="0.571772" z3="0.395186">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.824044" y3="0.08311" z3="2.507026">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.316637" y3="2.113049" z3="3.685218">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.410198" y3="1.375631" z3="-0.313329">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.241447" y3="1.141149" z3="2.994357">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.143129" y3="-3.757519" z3="-0.871185">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.924396" y3="-1.787824" z3="-0.053799">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.241583" y3="1.742093" z3="1.157509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.361024" y3="0.375715" z3="-0.281646">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.685144" y3="-0.363991" z3="-2.057932">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.05662" y3="1.76182" z3="-1.8010">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.874137" y3="-3.821385" z3="0.754211">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.301278" y3="0.078819" z3="-3.176807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.500039" y3="1.350704" z3="-3.01365">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.480285" y3="2.15775" z3="-0.04176">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.727818" y3="1.391288" z3="0.506512">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.762473" y3="0.907846" z3="1.622736">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.632589" y3="1.801953" z3="1.360382">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.438851" y3="2.037911" z3="0.298242">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.973478" y3="2.17705" z3="-1.13882">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.922308" y3="2.205013" z3="0.466098">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.680614" y3="0.445034" z3="-0.638931">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.107155" y3="1.665082" z3="2.822654">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.169966" y3="-0.724876" z3="-1.501822">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.625244" y3="-1.06951" z3="-1.256284">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.056824" y3="-1.797952" z3="-0.127438">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.589162" y3="-0.623821" z3="-2.168867">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.553449" y3="0.679558" z3="-1.2091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.095273" y3="-2.321481" z3="0.910709">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.42431" y3="-2.049315" z3="0.057213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.945446" y3="-0.891117" z3="-1.986401">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.368302" y3="-1.607381" z3="-0.86684">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.352547" y3="-1.770476" z3="-1.877994">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.250543" y3="-2.510722" z3="-0.826284">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.811211" y3="-0.41881" z3="-0.578786">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.755011" y3="-4.335816" z3="0.843867">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.23445" y3="-4.177156" z3="1.471287">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.477534" y3="-4.058397" z3="-0.159565">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.580076" y3="3.241553" z3="-0.13408">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.504898" y3="2.071134" z3="0.860587">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.993968" y3="3.229202" z3="-1.446434">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.666763" y3="1.645089" z3="-1.798282">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.35587" y3="2.834026" z3="-0.313664">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.17381" y3="2.599214" z3="1.446128">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.514172" y3="-1.591399" z3="-1.376169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.050169" y3="-0.409661" z3="-2.544255">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.267219" y3="-0.059012" z3="-3.03867">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.106796" y3="-1.868991" z3="0.865959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.484516" y3="-2.193207" z3="1.921194">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.754404" y3="-2.589881" z3="0.94093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.668278" y3="-0.535212" z3="-2.713878">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.421857" y3="-1.812824" z3="-0.708053">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.438641" y3="-2.241544" z3="-2.856905">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.310054" y3="-1.835254" z3="-1.551859">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3165,1.4788,-1.5482;-4.8373,.5718,.3952;.824,.0831,2.507;-1.3166,2.113,3.6852;4.4102,1.3756,-.3133;-3.2414,1.1411,2.9944;-6.1431,-3.7575,-.8712;-6.9244,-1.7878,-.0538;-.2416,1.7421,1.1575;2.361,.3757,-.2816;-5.6851,-.364,-2.0579;-6.0566,1.7618,-1.801;4.8741,-3.8214,.7542;-6.3013,.0788,-3.1768;-6.5,1.3507,-3.0137;.4803,2.1578,-.0418;1.7278,1.3913,.5065;.7625,.9078,1.6227;-1.6326,1.802,1.3604;-2.4389,2.0379,.2982;-1.9735,2.177,-1.1388;-3.9223,2.205,.4661;3.6806,.445,-.6389;-2.1072,1.6651,2.8227;4.17,-.7249,-1.5018;5.6252,-1.0695,-1.2563;6.0568,-1.798,-.1274;6.5892,-.6238,-2.1689;-5.5534,.6796,-1.2091;5.0953,-2.3215,.9107;7.4243,-2.0493,.0572;7.9454,-.8911,-1.9864;8.3683,-1.6074,-.8668;-5.3525,-1.7705,-1.878;-6.2505,-2.5107,-.8263;1.8112,-.4188,-.5788;5.755,-4.3358,.8439;4.2344,-4.1772,1.4713;4.4775,-4.0584,-.1596;.5801,3.2416,-.1341;2.5049,2.0711,.8606;-1.994,3.2292,-1.4464;-2.6668,1.6451,-1.7983;-4.3559,2.834,-.3137;-4.1738,2.5992,1.4461;3.5142,-1.5914,-1.3762;4.0502,-.4097,-2.5443;6.2672,-.059,-3.0387;4.1068,-1.869,.866;5.4845,-2.1932,1.9212;7.7544,-2.5899,.9409;8.6683,-.5352,-2.7139;9.4219,-1.8128,-.7081;-5.4386,-2.2415,-2.8569;-4.3101,-1.8353,-1.5519;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1751309 0.0396836 0.0378780</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.316693" y3="1.476805" z3="-1.544937">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.837306" y3="0.570427" z3="0.3931">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.822479" y3="0.081144" z3="2.510826">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.319459" y3="2.107699" z3="3.688539">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.407053" y3="1.376708" z3="-0.318605">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.243809" y3="1.137005" z3="2.994534">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.129342" y3="-3.758372" z3="-0.888791">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.913761" y3="-1.79478" z3="-0.059796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.242828" y3="1.739983" z3="1.160713">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.359993" y3="0.372743" z3="-0.276426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.685936" y3="-0.358494" z3="-2.062322">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.064963" y3="1.764959" z3="-1.795855">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.877007" y3="-3.813469" z3="0.768786">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.30554" y3="0.086726" z3="-3.178306">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.508922" y3="1.35716" z3="-3.009454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.479627" y3="2.155628" z3="-0.038285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.726799" y3="1.389043" z3="0.510701">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.761131" y3="0.905926" z3="1.626604">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.633951" y3="1.799984" z3="1.362872">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.43951" y3="2.037094" z3="0.300466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.973219" y3="2.176619" z3="-1.13628">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.923029" y3="2.204205" z3="0.467331">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.678315" y3="0.443526" z3="-0.638394">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.109376" y3="1.661072" z3="2.824747">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.166666" y3="-0.728586" z3="-1.499165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.622995" y3="-1.072162" z3="-1.257745">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.058988" y3="-1.795633" z3="-0.127438">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.583147" y3="-0.6326" z3="-2.177282">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.55648" y3="0.682152" z3="-1.209513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.101699" y3="-2.313244" z3="0.917613">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.42704" y3="-2.047274" z3="0.052318">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.940015" y3="-0.900066" z3="-1.999488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.367281" y3="-1.610814" z3="-0.878069">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.347874" y3="-1.764543" z3="-1.888839">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.240259" y3="-2.5122" z3="-0.837618">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.81055" y3="-0.423147" z3="-0.570618">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.757428" y3="-4.32902" z3="0.856903">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.239793" y3="-4.164897" z3="1.490293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.476146" y3="-4.053353" z3="-0.142448">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.579647" y3="3.239427" z3="-0.130598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.503888" y3="2.06893" z3="0.864604">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.992503" y3="3.228936" z3="-1.443434">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.666698" y3="1.645538" z3="-1.796265">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.35566" y3="2.834456" z3="-0.311956">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.175145" y3="2.597223" z3="1.447679">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.512047" y3="-1.595298" z3="-1.369174">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.043641" y3="-0.416297" z3="-2.542054">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.257681" y3="-0.072473" z3="-3.048799">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.113835" y3="-1.85925" z3="0.875803">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.496299" y3="-2.18097" z3="1.925535">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.76075" y3="-2.58343" z3="0.937327">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.65986" y3="-0.5486" z3="-2.732065">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.421339" y3="-1.816409" z3="-0.722859">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.43494" y3="-2.232136" z3="-2.869323">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.304286" y3="-1.826811" z3="-1.565751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3167,1.4768,-1.5449;-4.8373,.5704,.3931;.8225,.0811,2.5108;-1.3195,2.1077,3.6885;4.4071,1.3767,-.3186;-3.2438,1.137,2.9945;-6.1293,-3.7584,-.8888;-6.9138,-1.7948,-.0598;-.2428,1.74,1.1607;2.36,.3727,-.2764;-5.6859,-.3585,-2.0623;-6.065,1.765,-1.7959;4.877,-3.8135,.7688;-6.3055,.0867,-3.1783;-6.5089,1.3572,-3.0095;.4796,2.1556,-.0383;1.7268,1.389,.5107;.7611,.9059,1.6266;-1.634,1.8,1.3629;-2.4395,2.0371,.3005;-1.9732,2.1766,-1.1363;-3.923,2.2042,.4673;3.6783,.4435,-.6384;-2.1094,1.6611,2.8247;4.1667,-.7286,-1.4992;5.623,-1.0722,-1.2577;6.059,-1.7956,-.1274;6.5831,-.6326,-2.1773;-5.5565,.6822,-1.2095;5.1017,-2.3132,.9176;7.427,-2.0473,.0523;7.94,-.9001,-1.9995;8.3673,-1.6108,-.8781;-5.3479,-1.7645,-1.8888;-6.2403,-2.5122,-.8376;1.8106,-.4231,-.5706;5.7574,-4.329,.8569;4.2398,-4.1649,1.4903;4.4761,-4.0534,-.1424;.5796,3.2394,-.1306;2.5039,2.0689,.8646;-1.9925,3.2289,-1.4434;-2.6667,1.6455,-1.7963;-4.3557,2.8345,-.312;-4.1751,2.5972,1.4477;3.512,-1.5953,-1.3692;4.0436,-.4163,-2.5421;6.2577,-.0725,-3.0488;4.1138,-1.8593,.8758;5.4963,-2.181,1.9255;7.7607,-2.5834,.9373;8.6599,-.5486,-2.7321;9.4213,-1.8164,-.7229;-5.4349,-2.2321,-2.8693;-4.3043,-1.8268,-1.5658;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1750813 0.0396952 0.0378825</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.313013" y3="1.481729" z3="-1.548705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.83479" y3="0.572167" z3="0.39269">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.824325" y3="0.087362" z3="2.507218">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.31692" y3="2.111927" z3="3.684368">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.412591" y3="1.381463" z3="-0.310925">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.243914" y3="1.146689" z3="2.990315">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.147194" y3="-3.758974" z3="-0.858139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.920681" y3="-1.785846" z3="-0.041921">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.241138" y3="1.745963" z3="1.156951">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.363467" y3="0.381027" z3="-0.279159">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.686525" y3="-0.369992" z3="-2.056217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.054636" y3="1.757413" z3="-1.805935">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.868077" y3="-3.826511" z3="0.740551">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.302589" y3="0.0701" z3="-3.1762">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.499509" y3="1.342778" z3="-3.016915">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.481596" y3="2.161953" z3="-0.04164">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.7291" y3="1.396465" z3="0.508043">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.763059" y3="0.91243" z3="1.623324">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.632443" y3="1.804939" z3="1.358521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.437825" y3="2.039791" z3="0.295579">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.971244" y3="2.17815" z3="-1.141171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.921391" y3="2.206504" z3="0.461596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.683311" y3="0.450597" z3="-0.63611">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.108016" y3="1.667568" z3="2.820443">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.172343" y3="-0.719916" z3="-1.498887">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.626948" y3="-1.066865" z3="-1.253358">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.055979" y3="-1.800847" z3="-0.1273">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.592532" y3="-0.618498" z3="-2.162866">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.552121" y3="0.676431" z3="-1.211185">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.092099" y3="-2.328131" z3="0.906815">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.422947" y3="-2.054456" z3="0.058163">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.948287" y3="-0.88766" z3="-1.979374">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.36879" y3="-1.609123" z3="-0.862234">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.35578" y3="-1.776484" z3="-1.872164">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.251421" y3="-2.51197" z3="-0.815232">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.813783" y3="-0.413266" z3="-0.57718">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.747892" y3="-4.34316" z3="0.828585">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.226725" y3="-4.185818" z3="1.454403">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.472609" y3="-4.056061" z3="-0.175733">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.580672" y3="3.245831" z3="-0.134268">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.505734" y3="2.076611" z3="0.862265">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.993008" y3="3.230001" z3="-1.449813">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.663438" y3="1.644538" z3="-1.800518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.354119" y3="2.834609" z3="-0.319415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.173838" y3="2.60207" z3="1.440836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.515961" y3="-1.585823" z3="-1.373267">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.053227" y3="-0.404303" z3="-2.54122">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.272292" y3="-0.050065" z3="-3.030931">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104776" y3="-1.872875" z3="0.863276">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.480648" y3="-2.205833" z3="1.918379">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.751022" y3="-2.599307" z3="0.939909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.672568" y3="-0.529251" z3="-2.70418">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.421887" y3="-1.816332" z3="-0.702701">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.445673" y3="-2.251045" z3="-2.849038">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.312374" y3="-1.841903" z3="-1.548989">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.313,1.4817,-1.5487;-4.8348,.5722,.3927;.8243,.0874,2.5072;-1.3169,2.1119,3.6844;4.4126,1.3815,-.3109;-3.2439,1.1467,2.9903;-6.1472,-3.759,-.8581;-6.9207,-1.7858,-.0419;-.2411,1.746,1.157;2.3635,.381,-.2792;-5.6865,-.37,-2.0562;-6.0546,1.7574,-1.8059;4.8681,-3.8265,.7406;-6.3026,.0701,-3.1762;-6.4995,1.3428,-3.0169;.4816,2.162,-.0416;1.7291,1.3965,.508;.7631,.9124,1.6233;-1.6324,1.8049,1.3585;-2.4378,2.0398,.2956;-1.9712,2.1782,-1.1412;-3.9214,2.2065,.4616;3.6833,.4506,-.6361;-2.108,1.6676,2.8204;4.1723,-.7199,-1.4989;5.6269,-1.0669,-1.2534;6.056,-1.8008,-.1273;6.5925,-.6185,-2.1629;-5.5521,.6764,-1.2112;5.0921,-2.3281,.9068;7.4229,-2.0545,.0582;7.9483,-.8877,-1.9794;8.3688,-1.6091,-.8622;-5.3558,-1.7765,-1.8722;-6.2514,-2.512,-.8152;1.8138,-.4133,-.5772;5.7479,-4.3432,.8286;4.2267,-4.1858,1.4544;4.4726,-4.0561,-.1757;.5807,3.2458,-.1343;2.5057,2.0766,.8623;-1.993,3.23,-1.4498;-2.6634,1.6445,-1.8005;-4.3541,2.8346,-.3194;-4.1738,2.6021,1.4408;3.516,-1.5858,-1.3733;4.0532,-.4043,-2.5412;6.2723,-.0501,-3.0309;4.1048,-1.8729,.8633;5.4806,-2.2058,1.9184;7.751,-2.5993,.9399;8.6726,-.5293,-2.7042;9.4219,-1.8163,-.7027;-5.4457,-2.251,-2.849;-4.3124,-1.8419,-1.549;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1750462 0.0396819 0.0378768</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.309566" y3="1.476159" z3="-1.550466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.833737" y3="0.576801" z3="0.389077">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.817928" y3="0.088289" z3="2.506431">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.320563" y3="2.126115" z3="3.678799">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.412225" y3="1.380674" z3="-0.309081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.248927" y3="1.164569" z3="2.983866">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.166124" y3="-3.757449" z3="-0.833557">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.928697" y3="-1.77789" z3="-0.022337">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.239573" y3="1.751667" z3="1.154995">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.364968" y3="0.375835" z3="-0.276011">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.699683" y3="-0.375482" z3="-2.050436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.053365" y3="1.756041" z3="-1.8136">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.87139" y3="-3.84323" z3="0.717252">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.317946" y3="0.060935" z3="-3.170923">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.506895" y3="1.335586" z3="-3.019369">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.485217" y3="2.160233" z3="-0.045303">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.729781" y3="1.393036" z3="0.508217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.760813" y3="0.91363" z3="1.622587">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.631763" y3="1.811309" z3="1.353205">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.435375" y3="2.044138" z3="0.288435">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.965585" y3="2.180457" z3="-1.147463">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.91949" y3="2.210772" z3="0.450456">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.684916" y3="0.447506" z3="-0.632315">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.11072" y3="1.680663" z3="2.814616">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.176869" y3="-0.722169" z3="-1.494401">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.632109" y3="-1.064181" z3="-1.247316">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.060868" y3="-1.807696" z3="-0.127492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.598753" y3="-0.600241" z3="-2.147936">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.555671" y3="0.675824" z3="-1.213146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.096239" y3="-2.34701" z3="0.899833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.428651" y3="-2.056301" z3="0.060144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.955255" y3="-0.86383" z3="-1.96204">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.375538" y3="-1.59571" z3="-0.851513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.37304" y3="-1.782345" z3="-1.860427">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.265951" y3="-2.509779" z3="-0.795863">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.817304" y3="-0.421743" z3="-0.569053">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.74937" y3="-4.362057" z3="0.809844">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.22224" y3="-4.208215" z3="1.421052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.485545" y3="-4.063307" z3="-0.205218">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.587674" y3="3.243367" z3="-0.142048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.506073" y3="2.073113" z3="0.863606">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.98103" y3="3.232428" z3="-1.45603">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.658683" y3="1.650672" z3="-1.808799">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.350779" y3="2.833815" z3="-0.335433">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.174762" y3="2.612939" z3="1.426198">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.522584" y3="-1.589399" z3="-1.368122">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.056585" y3="-0.407839" z3="-2.536986">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.278745" y3="-0.024009" z3="-3.010898">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.109267" y3="-1.890854" z3="0.860924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.484287" y3="-2.236255" z3="1.912691">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.756055" y3="-2.609664" z3="0.936981">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.680301" y3="-0.493081" z3="-2.679843">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.429103" y3="-1.79909" z3="-0.690279">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.468729" y3="-2.261501" z3="-2.834477">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.328347" y3="-1.849452" z3="-1.541686">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3096,1.4762,-1.5505;-4.8337,.5768,.3891;.8179,.0883,2.5064;-1.3206,2.1261,3.6788;4.4122,1.3807,-.3091;-3.2489,1.1646,2.9839;-6.1661,-3.7574,-.8336;-6.9287,-1.7779,-.0223;-.2396,1.7517,1.155;2.365,.3758,-.276;-5.6997,-.3755,-2.0504;-6.0534,1.756,-1.8136;4.8714,-3.8432,.7173;-6.3179,.0609,-3.1709;-6.5069,1.3356,-3.0194;.4852,2.1602,-.0453;1.7298,1.393,.5082;.7608,.9136,1.6226;-1.6318,1.8113,1.3532;-2.4354,2.0441,.2884;-1.9656,2.1805,-1.1475;-3.9195,2.2108,.4505;3.6849,.4475,-.6323;-2.1107,1.6807,2.8146;4.1769,-.7222,-1.4944;5.6321,-1.0642,-1.2473;6.0609,-1.8077,-.1275;6.5988,-.6002,-2.1479;-5.5557,.6758,-1.2131;5.0962,-2.347,.8998;7.4287,-2.0563,.0601;7.9553,-.8638,-1.962;8.3755,-1.5957,-.8515;-5.373,-1.7823,-1.8604;-6.266,-2.5098,-.7959;1.8173,-.4217,-.5691;5.7494,-4.3621,.8098;4.2222,-4.2082,1.4211;4.4855,-4.0633,-.2052;.5877,3.2434,-.142;2.5061,2.0731,.8636;-1.981,3.2324,-1.456;-2.6587,1.6507,-1.8088;-4.3508,2.8338,-.3354;-4.1748,2.6129,1.4262;3.5226,-1.5894,-1.3681;4.0566,-.4078,-2.537;6.2787,-.024,-3.0109;4.1093,-1.8909,.8609;5.4843,-2.2363,1.9127;7.7561,-2.6097,.937;8.6803,-.4931,-2.6798;9.4291,-1.7991,-.6903;-5.4687,-2.2615,-2.8345;-4.3283,-1.8495,-1.5417;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1751615 0.0396096 0.0378150</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.315362" y3="1.473292" z3="-1.544289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.838734" y3="0.57081" z3="0.390946">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.819641" y3="0.075243" z3="2.511063">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.322012" y3="2.103992" z3="3.688273">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.407533" y3="1.372536" z3="-0.314306">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.245753" y3="1.133383" z3="2.992581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.141386" y3="-3.754395" z3="-0.892195">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.920769" y3="-1.790016" z3="-0.060376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.243199" y3="1.73607" z3="1.161406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.360465" y3="0.368415" z3="-0.274528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.693543" y3="-0.354427" z3="-2.063708">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.066498" y3="1.770017" z3="-1.795489">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.88631" y3="-3.811159" z3="0.776385">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.313584" y3="0.093121" z3="-3.178542">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.513607" y3="1.363931" z3="-3.008473">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.480322" y3="2.151448" z3="-0.03709">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.726651" y3="1.384184" z3="0.512758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.759762" y3="0.900927" z3="1.627592">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.634547" y3="1.796556" z3="1.362375">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.439107" y3="2.034689" z3="0.299461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.971435" y3="2.174834" z3="-1.136825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.922569" y3="2.203446" z3="0.465394">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.678975" y3="0.439694" z3="-0.635527">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.111211" y3="1.657505" z3="2.823771">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.167646" y3="-0.731377" z3="-1.497385">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.624723" y3="-1.073141" z3="-1.25809">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.063766" y3="-1.793679" z3="-0.127198">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.582588" y3="-0.634203" z3="-2.180389">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.559798" y3="0.685493" z3="-1.21068">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.108979" y3="-2.310091" z3="0.920707">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.432497" y3="-2.042931" z3="0.050561">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.940113" y3="-0.899555" z3="-2.004704">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.37043" y3="-1.607283" z3="-0.882518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.358069" y3="-1.761339" z3="-1.8921">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.249962" y3="-2.508063" z3="-0.839909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.811304" y3="-0.427242" z3="-0.569899">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.767357" y3="-4.325508" z3="0.86586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.249617" y3="-4.161309" z3="1.498958">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.485601" y3="-4.054002" z3="-0.134172">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.58108" y3="3.235191" z3="-0.129247">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.503539" y3="2.063833" z3="0.867543">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.989246" y3="3.227366" z3="-1.443377">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.664823" y3="1.644948" z3="-1.797855">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.354066" y3="2.834172" z3="-0.31413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.17476" y3="2.597093" z3="1.445488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.514114" y3="-1.598782" z3="-1.366991">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.042917" y3="-0.418836" z3="-2.540016">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.254756" y3="-0.076054" z3="-3.052291">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.120398" y3="-1.857471" z3="0.878687">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.504801" y3="-2.174413" z3="1.927692">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.76862" y3="-2.576317" z3="0.936239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.658074" y3="-0.548641" z3="-2.739385">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.425035" y3="-1.811218" z3="-0.728847">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.447933" y3="-2.227882" z3="-2.872835">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.313993" y3="-1.826064" z3="-1.571032">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3154,1.4733,-1.5443;-4.8387,.5708,.3909;.8196,.0752,2.5111;-1.322,2.104,3.6883;4.4075,1.3725,-.3143;-3.2458,1.1334,2.9926;-6.1414,-3.7544,-.8922;-6.9208,-1.79,-.0604;-.2432,1.7361,1.1614;2.3605,.3684,-.2745;-5.6935,-.3544,-2.0637;-6.0665,1.77,-1.7955;4.8863,-3.8112,.7764;-6.3136,.0931,-3.1785;-6.5136,1.3639,-3.0085;.4803,2.1514,-.0371;1.7267,1.3842,.5128;.7598,.9009,1.6276;-1.6345,1.7966,1.3624;-2.4391,2.0347,.2995;-1.9714,2.1748,-1.1368;-3.9226,2.2034,.4654;3.679,.4397,-.6355;-2.1112,1.6575,2.8238;4.1676,-.7314,-1.4974;5.6247,-1.0731,-1.2581;6.0638,-1.7937,-.1272;6.5826,-.6342,-2.1804;-5.5598,.6855,-1.2107;5.109,-2.3101,.9207;7.4325,-2.0429,.0506;7.9401,-.8996,-2.0047;8.3704,-1.6073,-.8825;-5.3581,-1.7613,-1.8921;-6.25,-2.5081,-.8399;1.8113,-.4272,-.5699;5.7674,-4.3255,.8659;4.2496,-4.1613,1.499;4.4856,-4.054,-.1342;.5811,3.2352,-.1292;2.5035,2.0638,.8675;-1.9892,3.2274,-1.4434;-2.6648,1.6449,-1.7979;-4.3541,2.8342,-.3141;-4.1748,2.5971,1.4455;3.5141,-1.5988,-1.367;4.0429,-.4188,-2.54;6.2548,-.0761,-3.0523;4.1204,-1.8575,.8787;5.5048,-2.1744,1.9277;7.7686,-2.5763,.9362;8.6581,-.5486,-2.7394;9.425,-1.8112,-.7288;-5.4479,-2.2279,-2.8728;-4.314,-1.8261,-1.571;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1752952 0.0396423 0.0378437</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.313434" y3="1.478161" z3="-1.547446">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.835507" y3="0.573305" z3="0.393398">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.822215" y3="0.087658" z3="2.509894">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.320299" y3="2.11741" z3="3.68406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.409971" y3="1.379741" z3="-0.315541">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.244649" y3="1.146841" z3="2.990125">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.143909" y3="-3.758597" z3="-0.86309">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.919886" y3="-1.787329" z3="-0.044835">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.241551" y3="1.745955" z3="1.157871">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.361983" y3="0.377172" z3="-0.277051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.68784" y3="-0.367291" z3="-2.05635">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.057587" y3="1.759565" z3="-1.803477">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.873208" y3="-3.828634" z3="0.743786">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.304761" y3="0.073703" z3="-3.175581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.502972" y3="1.345952" z3="-3.014537">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.481633" y3="2.15967" z3="-0.041393">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.728368" y3="1.393805" z3="0.509349">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.76184" y3="0.911972" z3="1.62522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.63308" y3="1.805527" z3="1.358663">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.437938" y3="2.040215" z3="0.295257">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.970479" y3="2.1780" z3="-1.14128">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.921694" y3="2.207449" z3="0.460564">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.681042" y3="0.447109" z3="-0.636532">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.109697" y3="1.669787" z3="2.820318">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.169996" y3="-0.724725" z3="-1.497379">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.625569" y3="-1.068795" z3="-1.253036">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.057551" y3="-1.801407" z3="-0.127221">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.589135" y3="-0.618377" z3="-2.163726">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.553866" y3="0.678236" z3="-1.210183">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.096006" y3="-2.32985" z3="0.908515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.42528" y3="-2.051923" z3="0.056682">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.945672" y3="-0.884533" z3="-1.981853">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.369032" y3="-1.604893" z3="-0.865054">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.355017" y3="-1.773583" z3="-1.874717">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.249648" y3="-2.51173" z3="-0.81894">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.812691" y3="-0.418793" z3="-0.571303">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.753332" y3="-4.344694" z3="0.832189">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.231916" y3="-4.187645" z3="1.457849">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.477897" y3="-4.059405" z3="-0.172267">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.581725" y3="3.243308" z3="-0.135475">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.505316" y3="2.074064" z3="0.862775">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.990029" y3="3.229866" z3="-1.45004">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.663129" y3="1.645671" z3="-1.801132">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.354079" y3="2.834549" z3="-0.321386">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.174315" y3="2.604696" z3="1.439099">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.51451" y3="-1.590953" z3="-1.369524">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.049317" y3="-0.411208" z3="-2.540171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.266608" y3="-0.050596" z3="-3.031378">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.108063" y3="-1.875734" z3="0.866402">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.486138" y3="-2.207173" z3="1.919395">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.755726" y3="-2.595603" z3="0.938229">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.668286" y3="-0.524636" z3="-2.707582">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.422747" y3="-1.809928" z3="-0.706791">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.444266" y3="-2.246681" z3="-2.85236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.311489" y3="-1.837882" z3="-1.551672">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3134,1.4782,-1.5474;-4.8355,.5733,.3934;.8222,.0877,2.5099;-1.3203,2.1174,3.6841;4.41,1.3797,-.3155;-3.2446,1.1468,2.9901;-6.1439,-3.7586,-.8631;-6.9199,-1.7873,-.0448;-.2416,1.746,1.1579;2.362,.3772,-.2771;-5.6878,-.3673,-2.0564;-6.0576,1.7596,-1.8035;4.8732,-3.8286,.7438;-6.3048,.0737,-3.1756;-6.503,1.346,-3.0145;.4816,2.1597,-.0414;1.7284,1.3938,.5093;.7618,.912,1.6252;-1.6331,1.8055,1.3587;-2.4379,2.0402,.2953;-1.9705,2.178,-1.1413;-3.9217,2.2074,.4606;3.681,.4471,-.6365;-2.1097,1.6698,2.8203;4.17,-.7247,-1.4974;5.6256,-1.0688,-1.253;6.0576,-1.8014,-.1272;6.5891,-.6184,-2.1637;-5.5539,.6782,-1.2102;5.096,-2.3298,.9085;7.4253,-2.0519,.0567;7.9457,-.8845,-1.9819;8.369,-1.6049,-.8651;-5.355,-1.7736,-1.8747;-6.2496,-2.5117,-.8189;1.8127,-.4188,-.5713;5.7533,-4.3447,.8322;4.2319,-4.1876,1.4578;4.4779,-4.0594,-.1723;.5817,3.2433,-.1355;2.5053,2.0741,.8628;-1.99,3.2299,-1.45;-2.6631,1.6457,-1.8011;-4.3541,2.8345,-.3214;-4.1743,2.6047,1.4391;3.5145,-1.591,-1.3695;4.0493,-.4112,-2.5402;6.2666,-.0506,-3.0314;4.1081,-1.8757,.8664;5.4861,-2.2072,1.9194;7.7557,-2.5956,.9382;8.6683,-.5246,-2.7076;9.4227,-1.8099,-.7068;-5.4443,-2.2467,-2.8524;-4.3115,-1.8379,-1.5517;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1750478 0.0396794 0.0378710</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.308652" y3="1.467845" z3="-1.548299">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.838294" y3="0.579817" z3="0.38898">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.821596" y3="0.092637" z3="2.515735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.320209" y3="2.127534" z3="3.679472">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.403539" y3="1.389317" z3="-0.333735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.247621" y3="1.161308" z3="2.987929">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.1796" y3="-3.748086" z3="-0.837799">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.931419" y3="-1.764937" z3="-0.024928">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.240737" y3="1.744974" z3="1.155635">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.364684" y3="0.370886" z3="-0.269268">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.696087" y3="-0.369109" z3="-2.055955">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.048211" y3="1.762501" z3="-1.816685">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.884216" y3="-3.845491" z3="0.721576">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.307354" y3="0.070427" z3="-3.178687">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.495412" y3="1.345165" z3="-3.025799">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.48391" y3="2.155173" z3="-0.043437">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.730345" y3="1.391638" z3="0.51151">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.762171" y3="0.913494" z3="1.627701">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.632223" y3="1.807629" z3="1.354968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.4353" y3="2.039057" z3="0.289361">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.966533" y3="2.16874" z3="-1.147252">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.918653" y3="2.21045" z3="0.451945">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.680053" y3="0.447841" z3="-0.640644">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.110336" y3="1.679171" z3="2.816828">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.171819" y3="-0.729174" z3="-1.492959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.628599" y3="-1.065357" z3="-1.245965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.061701" y3="-1.80553" z3="-0.125735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.592352" y3="-0.598894" z3="-2.148494">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.554633" y3="0.680712" z3="-1.215824">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.100726" y3="-2.348257" z3="0.903125">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.430438" y3="-2.050469" z3="0.059206">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.94994" y3="-0.857517" z3="-1.964424">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.374274" y3="-1.587815" z3="-0.854355">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.37708" y3="-1.777357" z3="-1.864757">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.273273" y3="-2.500022" z3="-0.799421">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.818339" y3="-0.43119" z3="-0.552006">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.765953" y3="-4.359607" z3="0.806217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.242907" y3="-4.215401" z3="1.429878">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.491661" y3="-4.066812" z3="-0.197804">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.583381" y3="3.238579" z3="-0.140883">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.506598" y3="2.07376" z3="0.862848">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.986963" y3="3.218646" z3="-1.462297">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.658632" y3="1.631961" z3="-1.804276">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.348578" y3="2.836032" z3="-0.332603">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.172228" y3="2.61235" z3="1.428324">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.518837" y3="-1.596201" z3="-1.358111">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.05013" y3="-0.423617" z3="-2.537975">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.268671" y3="-0.025167" z3="-3.011789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.111561" y3="-1.897092" z3="0.862855">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.488321" y3="-2.233402" z3="1.915905">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.760656" y3="-2.603423" z3="0.934945">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.672759" y3="-0.484873" z3="-2.683479">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.428682" y3="-1.788436" z3="-0.695022">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.476615" y3="-2.257162" z3="-2.838112">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.332527" y3="-1.850456" z3="-1.546822">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3087,1.4678,-1.5483;-4.8383,.5798,.389;.8216,.0926,2.5157;-1.3202,2.1275,3.6795;4.4035,1.3893,-.3337;-3.2476,1.1613,2.9879;-6.1796,-3.7481,-.8378;-6.9314,-1.7649,-.0249;-.2407,1.745,1.1556;2.3647,.3709,-.2693;-5.6961,-.3691,-2.056;-6.0482,1.7625,-1.8167;4.8842,-3.8455,.7216;-6.3074,.0704,-3.1787;-6.4954,1.3452,-3.0258;.4839,2.1552,-.0434;1.7303,1.3916,.5115;.7622,.9135,1.6277;-1.6322,1.8076,1.355;-2.4353,2.0391,.2894;-1.9665,2.1687,-1.1473;-3.9187,2.2104,.4519;3.6801,.4478,-.6406;-2.1103,1.6792,2.8168;4.1718,-.7292,-1.493;5.6286,-1.0654,-1.246;6.0617,-1.8055,-.1257;6.5924,-.5989,-2.1485;-5.5546,.6807,-1.2158;5.1007,-2.3483,.9031;7.4304,-2.0505,.0592;7.9499,-.8575,-1.9644;8.3743,-1.5878,-.8544;-5.3771,-1.7774,-1.8648;-6.2733,-2.5,-.7994;1.8183,-.4312,-.552;5.766,-4.3596,.8062;4.2429,-4.2154,1.4299;4.4917,-4.0668,-.1978;.5834,3.2386,-.1409;2.5066,2.0738,.8628;-1.987,3.2186,-1.4623;-2.6586,1.632,-1.8043;-4.3486,2.836,-.3326;-4.1722,2.6124,1.4283;3.5188,-1.5962,-1.3581;4.0501,-.4236,-2.538;6.2687,-.0252,-3.0118;4.1116,-1.8971,.8629;5.4883,-2.2334,1.9159;7.7607,-2.6034,.9349;8.6728,-.4849,-2.6835;9.4287,-1.7884,-.695;-5.4766,-2.2572,-2.8381;-4.3325,-1.8505,-1.5468;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1752370 0.0396084 0.0378233</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.316225" y3="1.479797" z3="-1.544412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.835462" y3="0.568961" z3="0.39355">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.82436" y3="0.085436" z3="2.512131">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.320134" y3="2.10926" z3="3.68917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.406502" y3="1.379889" z3="-0.322777">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.242219" y3="1.134808" z3="2.993938">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.124616" y3="-3.759929" z3="-0.886275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.910991" y3="-1.795923" z3="-0.060162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.242208" y3="1.742537" z3="1.16114">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.3597" y3="0.375593" z3="-0.276562">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.681649" y3="-0.360992" z3="-2.062491">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.061956" y3="1.762447" z3="-1.796765">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.872747" y3="-3.815094" z3="0.76652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.299963" y3="0.083827" z3="-3.179356">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.504297" y3="1.354172" z3="-3.010796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.479941" y3="2.158755" z3="-0.037763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.72753" y3="1.392395" z3="0.510739">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.762452" y3="0.90971" z3="1.627505">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.63334" y3="1.801424" z3="1.363273">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.439151" y3="2.038019" z3="0.300977">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.973007" y3="2.17881" z3="-1.135572">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.922763" y3="2.203671" z3="0.468141">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.677725" y3="0.446015" z3="-0.640346">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.108799" y3="1.661292" z3="2.82494">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.165243" y3="-0.727912" z3="-1.49938">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.621312" y3="-1.072406" z3="-1.257913">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.056432" y3="-1.797334" z3="-0.128218">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.581996" y3="-0.632027" z3="-2.176469">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.55343" y3="0.679997" z3="-1.209775">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.098071" y3="-2.315009" z3="0.915891">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.424343" y3="-2.049494" z3="0.052034">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.938687" y3="-0.899835" z3="-1.998093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.365129" y3="-1.61206" z3="-0.877247">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.343813" y3="-1.766952" z3="-1.888002">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.236475" y3="-2.513835" z3="-0.836569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.809884" y3="-0.42068" z3="-0.569018">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.752548" y3="-4.331539" z3="0.854776">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.235277" y3="-4.166573" z3="1.487769">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.471643" y3="-4.054186" z3="-0.144834">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.579516" y3="3.242622" z3="-0.129857">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.505182" y3="2.072145" z3="0.863478">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.992976" y3="3.231228" z3="-1.442312">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.666325" y3="1.647513" z3="-1.795628">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.356103" y3="2.834201" z3="-0.310504">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.174997" y3="2.596006" z3="1.448744">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.509933" y3="-1.593759" z3="-1.3679">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.04245" y3="-0.416957" z3="-2.542661">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.256973" y3="-0.070803" z3="-3.047465">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.110424" y3="-1.860564" z3="0.872884">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.491993" y3="-2.182584" z3="1.924107">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.757442" y3="-2.586722" z3="0.936611">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.659084" y3="-0.547539" z3="-2.72973">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.419024" y3="-1.818316" z3="-0.721766">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.430624" y3="-2.235584" z3="-2.86802">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.300372" y3="-1.829129" z3="-1.56434">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3162,1.4798,-1.5444;-4.8355,.569,.3936;.8244,.0854,2.5121;-1.3201,2.1093,3.6892;4.4065,1.3799,-.3228;-3.2422,1.1348,2.9939;-6.1246,-3.7599,-.8863;-6.911,-1.7959,-.0602;-.2422,1.7425,1.1611;2.3597,.3756,-.2766;-5.6816,-.361,-2.0625;-6.062,1.7624,-1.7968;4.8727,-3.8151,.7665;-6.3,.0838,-3.1794;-6.5043,1.3542,-3.0108;.4799,2.1588,-.0378;1.7275,1.3924,.5107;.7625,.9097,1.6275;-1.6333,1.8014,1.3633;-2.4392,2.038,.301;-1.973,2.1788,-1.1356;-3.9228,2.2037,.4681;3.6777,.446,-.6403;-2.1088,1.6613,2.8249;4.1652,-.7279,-1.4994;5.6213,-1.0724,-1.2579;6.0564,-1.7973,-.1282;6.582,-.632,-2.1765;-5.5534,.68,-1.2098;5.0981,-2.315,.9159;7.4243,-2.0495,.052;7.9387,-.8998,-1.9981;8.3651,-1.6121,-.8772;-5.3438,-1.767,-1.888;-6.2365,-2.5138,-.8366;1.8099,-.4207,-.569;5.7525,-4.3315,.8548;4.2353,-4.1666,1.4878;4.4716,-4.0542,-.1448;.5795,3.2426,-.1299;2.5052,2.0721,.8635;-1.993,3.2312,-1.4423;-2.6663,1.6475,-1.7956;-4.3561,2.8342,-.3105;-4.175,2.596,1.4487;3.5099,-1.5938,-1.3679;4.0424,-.417,-2.5427;6.257,-.0708,-3.0475;4.1104,-1.8606,.8729;5.492,-2.1826,1.9241;7.7574,-2.5867,.9366;8.6591,-.5475,-2.7297;9.419,-1.8183,-.7218;-5.4306,-2.2356,-2.868;-4.3004,-1.8291,-1.5643;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1749346 0.0397260 0.0379074</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.304871" y3="1.466142" z3="-1.553924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.839493" y3="0.586396" z3="0.389617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.816469" y3="0.087797" z3="2.508924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.320839" y3="2.125982" z3="3.672518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.40952" y3="1.389755" z3="-0.319577">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.253744" y3="1.173323" z3="2.978244">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.19707" y3="-3.745904" z3="-0.803624">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.946214" y3="-1.755615" z3="-0.006796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.240532" y3="1.74511" z3="1.150197">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.36991" y3="0.371644" z3="-0.270812">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.707579" y3="-0.37646" z3="-2.045195">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.050006" y3="1.758346" z3="-1.821971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.879965" y3="-3.856052" z3="0.692514">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.320957" y3="0.056323" z3="-3.169596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.503076" y3="1.332993" z3="-3.026283">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.486239" y3="2.153715" z3="-0.048295">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.73112" y3="1.389615" z3="0.50947">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.760053" y3="0.910318" z3="1.622332">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.632307" y3="1.809377" z3="1.347355">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.433746" y3="2.04093" z3="0.280601">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.96253" y3="2.169297" z3="-1.155662">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.917188" y3="2.215913" z3="0.441638">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.687065" y3="0.450498" z3="-0.635355">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.112953" y3="1.683671" z3="2.808559">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.182488" y3="-0.720074" z3="-1.494359">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.637498" y3="-1.059323" z3="-1.241647">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.063438" y3="-1.808037" z3="-0.124321">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.606907" y3="-0.585593" z3="-2.134276">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.558785" y3="0.679349" z3="-1.214266">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.096117" y3="-2.360896" z3="0.8929">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.430969" y3="-2.053085" z3="0.068142">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.963352" y3="-0.845312" z3="-1.943419">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.380688" y3="-1.583124" z3="-0.835733">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.390208" y3="-1.783844" z3="-1.84478">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.288401" y3="-2.497453" z3="-0.77498">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.824198" y3="-0.427436" z3="-0.563231">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.760757" y3="-4.37137" z3="0.781311">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.230719" y3="-4.233138" z3="1.389675">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.4974" y3="-4.06692" z3="-0.233605">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.586948" y3="3.236914" z3="-0.146646">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.505376" y3="2.072139" z3="0.864515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.980587" y3="3.219343" z3="-1.470646">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.654191" y3="1.633749" z3="-1.813999">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.345423" y3="2.837287" z3="-0.347114">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.169939" y3="2.624131" z3="1.415664">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.528709" y3="-1.58769" z3="-1.369936">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.0662" y3="-0.406354" z3="-2.537631">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.288943" y3="-0.005061" z3="-2.995123">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.107441" y3="-1.908091" z3="0.852737">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.478437" y3="-2.258705" z3="1.909088">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.755696" y3="-2.611374" z3="0.942396">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.69062" y3="-0.467158" z3="-2.655073">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.434202" y3="-1.78376" z3="-0.670653">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.489073" y3="-2.269537" z3="-2.815298">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.34608" y3="-1.855902" z3="-1.525232">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3049,1.4661,-1.5539;-4.8395,.5864,.3896;.8165,.0878,2.5089;-1.3208,2.126,3.6725;4.4095,1.3898,-.3196;-3.2537,1.1733,2.9782;-6.1971,-3.7459,-.8036;-6.9462,-1.7556,-.0068;-.2405,1.7451,1.1502;2.3699,.3716,-.2708;-5.7076,-.3765,-2.0452;-6.05,1.7583,-1.822;4.88,-3.8561,.6925;-6.321,.0563,-3.1696;-6.5031,1.333,-3.0263;.4862,2.1537,-.0483;1.7311,1.3896,.5095;.7601,.9103,1.6223;-1.6323,1.8094,1.3474;-2.4337,2.0409,.2806;-1.9625,2.1693,-1.1557;-3.9172,2.2159,.4416;3.6871,.4505,-.6354;-2.113,1.6837,2.8086;4.1825,-.7201,-1.4944;5.6375,-1.0593,-1.2416;6.0634,-1.808,-.1243;6.6069,-.5856,-2.1343;-5.5588,.6793,-1.2143;5.0961,-2.3609,.8929;7.431,-2.0531,.0681;7.9634,-.8453,-1.9434;8.3807,-1.5831,-.8357;-5.3902,-1.7838,-1.8448;-6.2884,-2.4975,-.775;1.8242,-.4274,-.5632;5.7608,-4.3714,.7813;4.2307,-4.2331,1.3897;4.4974,-4.0669,-.2336;.5869,3.2369,-.1466;2.5054,2.0721,.8645;-1.9806,3.2193,-1.4706;-2.6542,1.6337,-1.814;-4.3454,2.8373,-.3471;-4.1699,2.6241,1.4157;3.5287,-1.5877,-1.3699;4.0662,-.4064,-2.5376;6.2889,-.0051,-2.9951;4.1074,-1.9081,.8527;5.4784,-2.2587,1.9091;7.7557,-2.6114,.9424;8.6906,-.4672,-2.6551;9.4342,-1.7838,-.6707;-5.4891,-2.2695,-2.8153;-4.3461,-1.8559,-1.5252;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1756724 0.0395284 0.0377685</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.302345" y3="1.460292" z3="-1.559906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.836261" y3="0.584866" z3="0.39015">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.825544" y3="0.087914" z3="2.503107">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.313911" y3="2.12454" z3="3.66758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.410639" y3="1.397557" z3="-0.33894">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.247127" y3="1.171893" z3="2.974178">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.229204" y3="-3.742022" z3="-0.790046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.96135" y3="-1.745969" z3="0.008029">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.23486" y3="1.742655" z3="1.143721">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.376029" y3="0.370095" z3="-0.277947">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.722293" y3="-0.377687" z3="-2.038276">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.049683" y3="1.759982" z3="-1.818112">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.875209" y3="-3.860129" z3="0.673895">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.337404" y3="0.056989" z3="-3.161124">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.510798" y3="1.335001" z3="-3.019497">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.49014" y3="2.150348" z3="-0.056216">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.736412" y3="1.388376" z3="0.501231">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.767126" y3="0.909497" z3="1.615786">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.626486" y3="1.806708" z3="1.342484">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.429174" y3="2.037133" z3="0.276457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.959728" y3="2.163581" z3="-1.160622">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.912346" y3="2.213569" z3="0.439196">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.691563" y3="0.453066" z3="-0.646904">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.106228" y3="1.68188" z3="2.804003">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.191028" y3="-0.720486" z3="-1.499272">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.645116" y3="-1.056336" z3="-1.237289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.065364" y3="-1.807385" z3="-0.119464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.619331" y3="-0.575194" z3="-2.120707">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.562604" y3="0.679022" z3="-1.210489">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.092114" y3="-2.367081" z3="0.888317">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.432321" y3="-2.048894" z3="0.081665">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.975242" y3="-0.830572" z3="-1.920732">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.387006" y3="-1.571699" z3="-0.813149">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.413415" y3="-1.78682" z3="-1.836696">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.311874" y3="-2.492933" z3="-0.762243">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.83285" y3="-0.432948" z3="-0.564086">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.753906" y3="-4.378338" z3="0.766935">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.218308" y3="-4.241926" z3="1.361176">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.501297" y3="-4.062161" z3="-0.257693">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.58969" y3="3.233533" z3="-0.156006">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.509903" y3="2.072803" z3="0.854232">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.978508" y3="3.213155" z3="-1.477152">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.652066" y3="1.6268" z3="-1.817255">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.340808" y3="2.834436" z3="-0.349773">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.163298" y3="2.623302" z3="1.41303">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.5375" y3="-1.588201" z3="-1.375096">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.079959" y3="-0.410547" z3="-2.544245">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.305612" y3="0.007467" z3="-2.981651">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104431" y3="-1.911891" z3="0.846536">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.469226" y3="-2.274073" z3="1.90725">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.752281" y3="-2.610581" z3="0.955399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.706361" y3="-0.447036" z3="-2.625523">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.439948" y3="-1.769828" z3="-0.641503">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.519613" y3="-2.273582" z3="-2.805915">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.368422" y3="-1.865353" z3="-1.52149">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3023,1.4603,-1.5599;-4.8363,.5849,.3901;.8255,.0879,2.5031;-1.3139,2.1245,3.6676;4.4106,1.3976,-.3389;-3.2471,1.1719,2.9742;-6.2292,-3.742,-.79;-6.9614,-1.746,.008;-.2349,1.7427,1.1437;2.376,.3701,-.2779;-5.7223,-.3777,-2.0383;-6.0497,1.76,-1.8181;4.8752,-3.8601,.6739;-6.3374,.057,-3.1611;-6.5108,1.335,-3.0195;.4901,2.1503,-.0562;1.7364,1.3884,.5012;.7671,.9095,1.6158;-1.6265,1.8067,1.3425;-2.4292,2.0371,.2765;-1.9597,2.1636,-1.1606;-3.9123,2.2136,.4392;3.6916,.4531,-.6469;-2.1062,1.6819,2.804;4.191,-.7205,-1.4993;5.6451,-1.0563,-1.2373;6.0654,-1.8074,-.1195;6.6193,-.5752,-2.1207;-5.5626,.679,-1.2105;5.0921,-2.3671,.8883;7.4323,-2.0489,.0817;7.9752,-.8306,-1.9207;8.387,-1.5717,-.8131;-5.4134,-1.7868,-1.8367;-6.3119,-2.4929,-.7622;1.8329,-.4329,-.5641;5.7539,-4.3783,.7669;4.2183,-4.2419,1.3612;4.5013,-4.0622,-.2577;.5897,3.2335,-.156;2.5099,2.0728,.8542;-1.9785,3.2132,-1.4772;-2.6521,1.6268,-1.8173;-4.3408,2.8344,-.3498;-4.1633,2.6233,1.413;3.5375,-1.5882,-1.3751;4.08,-.4105,-2.5442;6.3056,.0075,-2.9817;4.1044,-1.9119,.8465;5.4692,-2.2741,1.9072;7.7523,-2.6106,.9554;8.7064,-.447,-2.6255;9.4399,-1.7698,-.6415;-5.5196,-2.2736,-2.8059;-4.3684,-1.8654,-1.5215;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1761750 0.0394438 0.0377152</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.307984" y3="1.468706" z3="-1.554554">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.835067" y3="0.577376" z3="0.392041">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.827248" y3="0.084541" z3="2.504223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.31341" y3="2.115485" z3="3.67627">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.409026" y3="1.390863" z3="-0.337285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.242225" y3="1.15345" z3="2.983046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.196109" y3="-3.749131" z3="-0.828737">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.950258" y3="-1.764526" z3="-0.022231">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.236312" y3="1.741333" z3="1.150119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.370168" y3="0.371544" z3="-0.279968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.706753" y3="-0.371313" z3="-2.047465">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.050895" y3="1.761674" z3="-1.809751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.871069" y3="-3.83922" z3="0.710126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.3224" y3="0.068285" z3="-3.167968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.505374" y3="1.34387" z3="-3.016063">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.486839" y3="2.153169" z3="-0.049642">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.733945" y3="1.389162" z3="0.503086">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.767075" y3="0.908179" z3="1.618904">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.627679" y3="1.802904" z3="1.35097">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.432183" y3="2.036728" z3="0.287085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.964886" y3="2.170022" z3="-1.149944">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.915443" y3="2.208356" z3="0.452553">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.686382" y3="0.449884" z3="-0.647769">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.10469" y3="1.670799" z3="2.81278">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.181791" y3="-0.724308" z3="-1.501622">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.636688" y3="-1.062986" z3="-1.245943">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.06228" y3="-1.801164" z3="-0.121372">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.606293" y3="-0.599314" z3="-2.143517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.55763" y3="0.679172" z3="-1.209897">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.094313" y3="-2.343668" z3="0.900802">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.429571" y3="-2.045879" z3="0.073125">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.962587" y3="-0.858556" z3="-1.950446">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.379502" y3="-1.585736" z3="-0.835634">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.389508" y3="-1.779967" z3="-1.856262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.289325" y3="-2.5010" z3="-0.79289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.824641" y3="-0.42947" z3="-0.567342">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.749268" y3="-4.358336" z3="0.8014">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.220156" y3="-4.208872" z3="1.409791">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.487118" y3="-4.054169" z3="-0.21451">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.586429" y3="3.236696" z3="-0.145647">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.509451" y3="2.071488" z3="0.855719">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.984375" y3="3.220944" z3="-1.461879">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.657958" y3="1.635889" z3="-1.807969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.346523" y3="2.833757" z3="-0.331419">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.166645" y3="2.610401" z3="1.429523">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.527138" y3="-1.591203" z3="-1.37523">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.067432" y3="-0.414317" z3="-2.546179">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.288709" y3="-0.02689" z3="-3.009917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.107458" y3="-1.886962" z3="0.859505">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.478601" y3="-2.237131" z3="1.915781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.754073" y3="-2.596046" z3="0.952665">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.690001" y3="-0.488431" z3="-2.666159">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.432833" y3="-1.786117" z3="-0.669051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.486978" y3="-2.259225" z3="-2.830131">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.345822" y3="-1.85395" z3="-1.535784">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.308,1.4687,-1.5546;-4.8351,.5774,.392;.8272,.0845,2.5042;-1.3134,2.1155,3.6763;4.409,1.3909,-.3373;-3.2422,1.1535,2.983;-6.1961,-3.7491,-.8287;-6.9503,-1.7645,-.0222;-.2363,1.7413,1.1501;2.3702,.3715,-.28;-5.7068,-.3713,-2.0475;-6.0509,1.7617,-1.8098;4.8711,-3.8392,.7101;-6.3224,.0683,-3.168;-6.5054,1.3439,-3.0161;.4868,2.1532,-.0496;1.7339,1.3892,.5031;.7671,.9082,1.6189;-1.6277,1.8029,1.351;-2.4322,2.0367,.2871;-1.9649,2.17,-1.1499;-3.9154,2.2084,.4526;3.6864,.4499,-.6478;-2.1047,1.6708,2.8128;4.1818,-.7243,-1.5016;5.6367,-1.063,-1.2459;6.0623,-1.8012,-.1214;6.6063,-.5993,-2.1435;-5.5576,.6792,-1.2099;5.0943,-2.3437,.9008;7.4296,-2.0459,.0731;7.9626,-.8586,-1.9504;8.3795,-1.5857,-.8356;-5.3895,-1.78,-1.8563;-6.2893,-2.501,-.7929;1.8246,-.4295,-.5673;5.7493,-4.3583,.8014;4.2202,-4.2089,1.4098;4.4871,-4.0542,-.2145;.5864,3.2367,-.1456;2.5095,2.0715,.8557;-1.9844,3.2209,-1.4619;-2.658,1.6359,-1.808;-4.3465,2.8338,-.3314;-4.1666,2.6104,1.4295;3.5271,-1.5912,-1.3752;4.0674,-.4143,-2.5462;6.2887,-.0269,-3.0099;4.1075,-1.887,.8595;5.4786,-2.2371,1.9158;7.7541,-2.596,.9527;8.69,-.4884,-2.6662;9.4328,-1.7861,-.6691;-5.487,-2.2592,-2.8301;-4.3458,-1.8539,-1.5358;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1757553 0.0395435 0.0377865</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.29393" y3="1.552948" z3="-1.616698">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.763081" y3="0.562918" z3="0.395987">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.817718" y3="0.112316" z3="2.413757">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.267583" y3="2.042103" z3="3.627077">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.481724" y3="1.4432" z3="-0.336995">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.194064" y3="1.091867" z3="2.898762">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.232879" y3="-3.779912" z3="-0.664753">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.908937" y3="-1.789381" z3="0.127238">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.234776" y3="1.771213" z3="1.088652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.403685" y3="0.449225" z3="-0.321086">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.744509" y3="-0.449742" z3="-1.966985">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.091292" y3="1.676758" z3="-1.745253">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.705527" y3="-3.818638" z3="0.505248">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.420875" y3="-0.046792" z3="-3.070888">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.597826" y3="1.230745" z3="-2.923938">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.49525" y3="2.213868" z3="-0.09724">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.744704" y3="1.439726" z3="0.452841">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.771182" y3="0.942142" z3="1.546941">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.622956" y3="1.819282" z3="1.28932">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.427615" y3="2.069117" z3="0.241208">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.959816" y3="2.230178" z3="-1.195611">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.901706" y3="2.231852" z3="0.430074">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.744323" y3="0.516568" z3="-0.664477">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.07746" y3="1.635854" z3="2.750669">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.280551" y3="-0.656078" z3="-1.517854">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.726001" y3="-1.032258" z3="-1.222924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.057837" y3="-1.820519" z3="-0.102353">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.752411" y3="-0.568782" z3="-2.047872">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.559221" y3="0.614929" z3="-1.159917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="4.977987" y3="-2.351814" z3="0.816156">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.408089" y3="-2.115542" z3="0.16969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.089514" y3="-0.873743" z3="-1.781957">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.421073" y3="-1.648099" z3="-0.670091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.434078" y3="-1.859466" z3="-1.76746">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.293183" y3="-2.542152" z3="-0.652383">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.860182" y3="-0.346299" z3="-0.627572">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.548415" y3="-4.368286" z3="0.626342">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="3.984908" y3="-4.205699" z3="1.127161">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.385844" y3="-3.953662" z3="-0.466929">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.588134" y3="3.301546" z3="-0.174937">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.511932" y3="2.112068" z3="0.82797">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.988392" y3="3.289673" z3="-1.487643">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.651937" y3="1.699675" z3="-1.857528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.347823" y3="2.87481" z3="-0.338422">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.120693" y3="2.613757" z3="1.42093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.627754" y3="-1.530624" z3="-1.432518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.204788" y3="-0.326362" z3="-2.557126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.502064" y3="0.040391" z3="-2.910786">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.007389" y3="-1.852454" z3="0.731475">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.28631" y3="-2.320149" z3="1.865186">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.67581" y3="-2.704153" z3="1.049985">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.868397" y3="-0.501717" z3="-2.441673">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.458212" y3="-1.881577" z3="-0.452999">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583468" y3="-2.355265" z3="-2.726764">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.377963" y3="-1.942774" z3="-1.491697">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2939,1.5529,-1.6167;-4.7631,.5629,.396;.8177,.1123,2.4138;-1.2676,2.0421,3.6271;4.4817,1.4432,-.337;-3.1941,1.0919,2.8988;-6.2329,-3.7799,-.6648;-6.9089,-1.7894,.1272;-.2348,1.7712,1.0887;2.4037,.4492,-.3211;-5.7445,-.4497,-1.967;-6.0913,1.6768,-1.7453;4.7055,-3.8186,.5052;-6.4209,-.0468,-3.0709;-6.5978,1.2307,-2.9239;.4953,2.2139,-.0972;1.7447,1.4397,.4528;.7712,.9421,1.5469;-1.623,1.8193,1.2893;-2.4276,2.0691,.2412;-1.9598,2.2302,-1.1956;-3.9017,2.2319,.4301;3.7443,.5166,-.6645;-2.0775,1.6359,2.7507;4.2806,-.6561,-1.5179;5.726,-1.0323,-1.2229;6.0578,-1.8205,-.1024;6.7524,-.5688,-2.0479;-5.5592,.6149,-1.1599;4.978,-2.3518,.8162;7.4081,-2.1155,.1697;8.0895,-.8737,-1.782;8.4211,-1.6481,-.6701;-5.4341,-1.8595,-1.7675;-6.2932,-2.5422,-.6524;1.8602,-.3463,-.6276;5.5484,-4.3683,.6263;3.9849,-4.2057,1.1272;4.3858,-3.9537,-.4669;.5881,3.3015,-.1749;2.5119,2.1121,.828;-1.9884,3.2897,-1.4876;-2.6519,1.6997,-1.8575;-4.3478,2.8748,-.3384;-4.1207,2.6138,1.4209;3.6278,-1.5306,-1.4325;4.2048,-.3264,-2.5571;6.5021,.0404,-2.9108;4.0074,-1.8525,.7315;5.2863,-2.3201,1.8652;7.6758,-2.7042,1.05;8.8684,-.5017,-2.4417;9.4582,-1.8816,-.453;-5.5835,-2.3553,-2.7268;-4.378,-1.9428,-1.4917;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1782098 0.0393766 0.0376949</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.258396" y3="1.412734" z3="-1.548793">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.862057" y3="0.605826" z3="0.380744">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.823056" y3="0.070468" z3="2.538117">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.325755" y3="2.14722" z3="3.666336">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.446048" y3="1.326128" z3="-0.363783">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232381" y3="1.140591" z3="2.979783">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.675137" y3="-3.644405" z3="-0.718543">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.230887" y3="-1.565755" z3="-0.008635">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.210945" y3="1.704856" z3="1.152792">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.398645" y3="0.308039" z3="-0.27327">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.83138" y3="-0.372515" z3="-2.047147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-5.989893" y3="1.771132" z3="-1.884241">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="5.011138" y3="-3.885924" z3="0.649451">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.408125" y3="0.080713" z3="-3.186217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.474483" y3="1.369331" z3="-3.084751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.5221" y3="2.109173" z3="-0.039636">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.762997" y3="1.332405" z3="0.514459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.785746" y3="0.873091" z3="1.633906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.60666" y3="1.784854" z3="1.343803">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.396866" y3="2.012084" z3="0.266895">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.916209" y3="2.121971" z3="-1.170581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.88871" y3="2.205667" z3="0.412246">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.713434" y3="0.387603" z3="-0.654613">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.104724" y3="1.678191" z3="2.80113">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.223056" y3="-0.779957" z3="-1.500835">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.690027" y3="-1.047502" z3="-1.234562">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.128373" y3="-1.780199" z3="-0.111999">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.652747" y3="-0.510068" z3="-2.09734">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.583706" y3="0.68099" z3="-1.235188">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.158998" y3="-2.392154" z3="0.873492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.502455" y3="-1.969812" z3="0.099653">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.017264" y3="-0.711024" z3="-1.887379">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.446352" y3="-1.446167" z3="-0.784917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.654448" y3="-1.798866" z3="-1.813328">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.634745" y3="-2.392857" z3="-0.740301">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.847455" y3="-0.487723" z3="-0.561152">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.905982" y3="-4.376553" z3="0.749166">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.346196" y3="-4.283737" z3="1.321953">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.661728" y3="-4.100725" z3="-0.287049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.619088" y3="3.191102" z3="-0.142559">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.539904" y3="2.016543" z3="0.867569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.934535" y3="3.16715" z3="-1.500464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.599367" y3="1.57879" z3="-1.829844">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.302435" y3="2.819733" z3="-0.385568">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.135241" y3="2.646039" z3="1.375375">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.591697" y3="-1.672416" z3="-1.378665">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.102828" y3="-0.462034" z3="-2.5424">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.324951" y3="0.071324" z3="-2.953573">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.146108" y3="-1.997828" z3="0.825462">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.514962" y3="-2.318576" z3="1.902125">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.844179" y3="-2.529926" z3="0.966247">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.740029" y3="-0.29419" z3="-2.581621">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.505597" y3="-1.601399" z3="-0.607234">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.798267" y3="-2.289155" z3="-2.775298">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.62614" y3="-1.965488" z3="-1.479876">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2584,1.4127,-1.5488;-4.8621,.6058,.3807;.8231,.0705,2.5381;-1.3258,2.1472,3.6663;4.446,1.3261,-.3638;-3.2324,1.1406,2.9798;-6.6751,-3.6444,-.7185;-7.2309,-1.5658,-.0086;-.2109,1.7049,1.1528;2.3986,.308,-.2733;-5.8314,-.3725,-2.0471;-5.9899,1.7711,-1.8842;5.0111,-3.8859,.6495;-6.4081,.0807,-3.1862;-6.4745,1.3693,-3.0848;.5221,2.1092,-.0396;1.763,1.3324,.5145;.7857,.8731,1.6339;-1.6067,1.7849,1.3438;-2.3969,2.0121,.2669;-1.9162,2.122,-1.1706;-3.8887,2.2057,.4122;3.7134,.3876,-.6546;-2.1047,1.6782,2.8011;4.2231,-.78,-1.5008;5.69,-1.0475,-1.2346;6.1284,-1.7802,-.112;6.6527,-.5101,-2.0973;-5.5837,.681,-1.2352;5.159,-2.3922,.8735;7.5025,-1.9698,.0997;8.0173,-.711,-1.8874;8.4464,-1.4462,-.7849;-5.6544,-1.7989,-1.8133;-6.6347,-2.3929,-.7403;1.8475,-.4877,-.5612;5.906,-4.3766,.7492;4.3462,-4.2837,1.322;4.6617,-4.1007,-.287;.6191,3.1911,-.1426;2.5399,2.0165,.8676;-1.9345,3.1671,-1.5005;-2.5994,1.5788,-1.8298;-4.3024,2.8197,-.3856;-4.1352,2.646,1.3754;3.5917,-1.6724,-1.3787;4.1028,-.462,-2.5424;6.325,.0713,-2.9536;4.1461,-1.9978,.8255;5.515,-2.3186,1.9021;7.8442,-2.5299,.9662;8.74,-.2942,-2.5816;9.5056,-1.6014,-.6072;-5.7983,-2.2892,-2.7753;-4.6261,-1.9655,-1.4799;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1785047 0.0384070 0.0368689</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.302121" y3="1.46076" z3="-1.558338">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.836448" y3="0.584376" z3="0.391531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.825953" y3="0.085507" z3="2.503666">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.313474" y3="2.121575" z3="3.669712">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.410969" y3="1.396937" z3="-0.338539">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.246497" y3="1.168852" z3="2.975917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.233893" y3="-3.741037" z3="-0.790986">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.964162" y3="-1.744672" z3="0.007874">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.234431" y3="1.741085" z3="1.145481">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.37626" y3="0.369468" z3="-0.27773">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.72372" y3="-0.376484" z3="-2.037508">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.049358" y3="1.761143" z3="-1.816206">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.876889" y3="-3.861072" z3="0.670078">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.338637" y3="0.059274" z3="-3.160078">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.510926" y3="1.337334" z3="-3.017835">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.490455" y3="2.149713" z3="-0.054167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.73678" y3="1.387178" z3="0.502445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.767596" y3="0.907595" z3="1.616824">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.626071" y3="1.80511" z3="1.344432">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.428802" y3="2.036325" z3="0.2786">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.959467" y3="2.163751" z3="-1.158459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.912047" y3="2.212772" z3="0.44153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.691727" y3="0.452731" z3="-0.646958">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.105775" y3="1.679301" z3="2.805885">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.191196" y3="-0.72007" z3="-1.500268">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.645485" y3="-1.055375" z3="-1.238729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.066119" y3="-1.807103" z3="-0.12151">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.619449" y3="-0.57292" z3="-2.121701">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.562994" y3="0.679582" z3="-1.209082">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.093063" y3="-2.368164" z3="0.885747">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.433198" y3="-2.048193" z3="0.079329">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.975499" y3="-0.827852" z3="-1.922031">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.387632" y3="-1.56978" z3="-0.815148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.416142" y3="-1.786015" z3="-1.836756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.315311" y3="-2.491873" z3="-0.762706">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.832974" y3="-0.433286" z3="-0.564438">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.755788" y3="-4.379044" z3="0.762646">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.220017" y3="-4.24359" z3="1.357009">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.503093" y3="-4.062522" z3="-0.261663">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.589933" y3="3.232967" z3="-0.153148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.510343" y3="2.071344" z3="0.855868">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.978321" y3="3.21353" z3="-1.474294">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.651797" y3="1.627404" z3="-1.815436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.340495" y3="2.834182" z3="-0.346974">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.162814" y3="2.62205" z3="1.415619">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.537938" y3="-1.588162" z3="-1.376697">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.079862" y3="-0.409223" z3="-2.544943">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.305438" y3="0.010399" z3="-2.98209">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.105078" y3="-1.913597" z3="0.844414">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.470097" y3="-2.276143" z3="1.904804">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.753532" y3="-2.610548" z3="0.952497">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.706421" y3="-0.443391" z3="-2.626521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.440681" y3="-1.767568" z3="-0.643757">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.522889" y3="-2.272068" z3="-2.806264">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.371224" y3="-1.865704" z3="-1.521609">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3021,1.4608,-1.5583;-4.8364,.5844,.3915;.826,.0855,2.5037;-1.3135,2.1216,3.6697;4.411,1.3969,-.3385;-3.2465,1.1689,2.9759;-6.2339,-3.741,-.791;-6.9642,-1.7447,.0079;-.2344,1.7411,1.1455;2.3763,.3695,-.2777;-5.7237,-.3765,-2.0375;-6.0494,1.7611,-1.8162;4.8769,-3.8611,.6701;-6.3386,.0593,-3.1601;-6.5109,1.3373,-3.0178;.4905,2.1497,-.0542;1.7368,1.3872,.5024;.7676,.9076,1.6168;-1.6261,1.8051,1.3444;-2.4288,2.0363,.2786;-1.9595,2.1638,-1.1585;-3.912,2.2128,.4415;3.6917,.4527,-.647;-2.1058,1.6793,2.8059;4.1912,-.7201,-1.5003;5.6455,-1.0554,-1.2387;6.0661,-1.8071,-.1215;6.6194,-.5729,-2.1217;-5.563,.6796,-1.2091;5.0931,-2.3682,.8857;7.4332,-2.0482,.0793;7.9755,-.8279,-1.922;8.3876,-1.5698,-.8151;-5.4161,-1.786,-1.8368;-6.3153,-2.4919,-.7627;1.833,-.4333,-.5644;5.7558,-4.379,.7626;4.22,-4.2436,1.357;4.5031,-4.0625,-.2617;.5899,3.233,-.1531;2.5103,2.0713,.8559;-1.9783,3.2135,-1.4743;-2.6518,1.6274,-1.8154;-4.3405,2.8342,-.347;-4.1628,2.6221,1.4156;3.5379,-1.5882,-1.3767;4.0799,-.4092,-2.5449;6.3054,.0104,-2.9821;4.1051,-1.9136,.8444;5.4701,-2.2761,1.9048;7.7535,-2.6105,.9525;8.7064,-.4434,-2.6265;9.4407,-1.7676,-.6438;-5.5229,-2.2721,-2.8063;-4.3712,-1.8657,-1.5216;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1761961 0.0394325 0.0377061</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.321227" y3="1.429909" z3="-1.561139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.858076" y3="0.62431" z3="0.408413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.775802" y3="0.028902" z3="2.48079">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.33348" y3="2.100959" z3="3.658934">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.391519" y3="1.392855" z3="-0.329721">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.274244" y3="1.173184" z3="2.950838">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.100416" y3="-3.735904" z3="-0.749092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.876954" y3="-1.761722" z3="0.061115">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.251717" y3="1.715473" z3="1.136729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.370487" y3="0.337966" z3="-0.284333">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.744497" y3="-0.359362" z3="-2.017505">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.125746" y3="1.769796" z3="-1.790743">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.879208" y3="-3.865285" z3="0.659986">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.385209" y3="0.06103" z3="-3.132716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.593062" y3="1.332787" z3="-2.985799">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.47791" y3="2.116217" z3="-0.060952">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.71648" y3="1.343559" z3="0.49961">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.73481" y3="0.859937" z3="1.60174">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.64211" y3="1.803524" z3="1.331395">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.437084" y3="2.055956" z3="0.263028">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.959889" y3="2.179514" z3="-1.170509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.918919" y3="2.24595" z3="0.419396">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.687307" y3="0.44326" z3="-0.653553">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.126898" y3="1.671862" z3="2.789743">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.205555" y3="-0.71726" z3="-1.512826">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.659989" y3="-1.055087" z3="-1.240717">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.072647" y3="-1.80593" z3="-0.120936">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.64129" y3="-0.579274" z3="-2.120378">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.604924" y3="0.701033" z3="-1.188377">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.092003" y3="-2.373789" z3="0.87519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.437213" y3="-2.038693" z3="0.098619">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.995052" y3="-0.828578" z3="-1.904664">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.397885" y3="-1.561964" z3="-0.787466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.386514" y3="-1.7586" z3="-1.827014">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.224891" y3="-2.490873" z3="-0.723346">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.834224" y3="-0.463459" z3="-0.587281">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.755869" y3="-4.388486" z3="0.749944">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.220695" y3="-4.247409" z3="1.345861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.504848" y3="-4.061145" z3="-0.272869">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.58951" y3="3.197917" z3="-0.163508">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.485347" y3="2.024965" z3="0.866948">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.949231" y3="3.229367" z3="-1.485036">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.665603" y3="1.662391" z3="-1.829519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.341607" y3="2.8610" z3="-0.376826">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.163034" y3="2.682892" z3="1.383501">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.548428" y3="-1.585605" z3="-1.416638">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.112358" y3="-0.384882" z3="-2.551788">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.331189" y3="0.001542" z3="-2.984438">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.103664" y3="-1.922602" z3="0.816735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.462135" y3="-2.27712" z3="1.897573">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.750355" y3="-2.594291" z3="0.977435">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.733317" y3="-0.442018" z3="-2.600215">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.449548" y3="-1.75607" z3="-0.602822">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.508812" y3="-2.253388" z3="-2.789981">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.330846" y3="-1.802469" z3="-1.541475">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3212,1.4299,-1.5611;-4.8581,.6243,.4084;.7758,.0289,2.4808;-1.3335,2.101,3.6589;4.3915,1.3929,-.3297;-3.2742,1.1732,2.9508;-6.1004,-3.7359,-.7491;-6.877,-1.7617,.0611;-.2517,1.7155,1.1367;2.3705,.338,-.2843;-5.7445,-.3594,-2.0175;-6.1257,1.7698,-1.7907;4.8792,-3.8653,.66;-6.3852,.061,-3.1327;-6.5931,1.3328,-2.9858;.4779,2.1162,-.061;1.7165,1.3436,.4996;.7348,.8599,1.6017;-1.6421,1.8035,1.3314;-2.4371,2.056,.263;-1.9599,2.1795,-1.1705;-3.9189,2.246,.4194;3.6873,.4433,-.6536;-2.1269,1.6719,2.7897;4.2056,-.7173,-1.5128;5.66,-1.0551,-1.2407;6.0726,-1.8059,-.1209;6.6413,-.5793,-2.1204;-5.6049,.701,-1.1884;5.092,-2.3738,.8752;7.4372,-2.0387,.0986;7.9951,-.8286,-1.9047;8.3979,-1.562,-.7875;-5.3865,-1.7586,-1.827;-6.2249,-2.4909,-.7233;1.8342,-.4635,-.5873;5.7559,-4.3885,.7499;4.2207,-4.2474,1.3459;4.5048,-4.0611,-.2729;.5895,3.1979,-.1635;2.4853,2.025,.8669;-1.9492,3.2294,-1.485;-2.6656,1.6624,-1.8295;-4.3416,2.861,-.3768;-4.163,2.6829,1.3835;3.5484,-1.5856,-1.4166;4.1124,-.3849,-2.5518;6.3312,.0015,-2.9844;4.1037,-1.9226,.8167;5.4621,-2.2771,1.8976;7.7504,-2.5943,.9774;8.7333,-.442,-2.6002;9.4495,-1.7561,-.6028;-5.5088,-2.2534,-2.79;-4.3308,-1.8025,-1.5415;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1780689 0.0394097 0.0377580</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.282557" y3="1.516711" z3="-1.543627">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.789425" y3="0.536719" z3="0.400593">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.869494" y3="0.116745" z3="2.505137">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.292808" y3="2.104911" z3="3.693677">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422291" y3="1.447652" z3="-0.389628">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.200012" y3="1.107677" z3="2.989911">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.092252" y3="-3.804846" z3="-0.819253">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.903458" y3="-1.836764" z3="-0.028597">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.210022" y3="1.773381" z3="1.163796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.387429" y3="0.422676" z3="-0.289199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.660408" y3="-0.417676" z3="-2.039064">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.03534" y3="1.706159" z3="-1.792735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.733261" y3="-3.796171" z3="0.673142">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.284336" y3="0.01382" z3="-3.156437">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.481381" y3="1.287562" z3="-3.001879">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.507962" y3="2.19933" z3="-0.034905">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.761036" y3="1.438496" z3="0.507994">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.801591" y3="0.948478" z3="1.627314">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.601797" y3="1.814832" z3="1.364113">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.410557" y3="2.044694" z3="0.301943">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.945863" y3="2.196661" z3="-1.134043">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.897249" y3="2.184228" z3="0.469434">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.694767" y3="0.50639" z3="-0.685737">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.076082" y3="1.655773" z3="2.824977">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.177551" y3="-0.665309" z3="-1.547951">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.617869" y3="-1.047314" z3="-1.267378">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="5.998728" y3="-1.793163" z3="-0.131221">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.618531" y3="-0.619811" z3="-2.147982">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.523023" y3="0.631005" z3="-1.196965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="4.997544" y3="-2.30772" z3="0.874096">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.353478" y3="-2.079338" z3="0.091321">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.962644" y3="-0.921868" z3="-1.928094">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.33511" y3="-1.654943" z3="-0.80194">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.320611" y3="-1.820508" z3="-1.848106">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.214688" y3="-2.558784" z3="-0.789063">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.838069" y3="-0.376564" z3="-0.573351">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.598413" y3="-4.335113" z3="0.770861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.066978" y3="-4.155971" z3="1.363995">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.354348" y3="-3.997803" z3="-0.256577">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.599633" y3="3.28415" z3="-0.123847">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.541181" y3="2.11619" z3="0.859172">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.976801" y3="3.250178" z3="-1.436073">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.632812" y3="1.661554" z3="-1.797404">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.342418" y3="2.80509" z3="-0.309916">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.155586" y3="2.570554" z3="1.450642">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.50163" y3="-1.520373" z3="-1.450564">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.094906" y3="-0.331585" z3="-2.587919">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.336115" y3="-0.040478" z3="-3.021796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.024695" y3="-1.822959" z3="0.828116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.372901" y3="-2.219007" z3="1.89394">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.642223" y3="-2.635584" z3="0.980535">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.714677" y3="-0.579451" z3="-2.631991">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.377974" y3="-1.888579" z3="-0.614289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.405002" y3="-2.300608" z3="-2.823019">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.276894" y3="-1.876539" z3="-1.524818">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2826,1.5167,-1.5436;-4.7894,.5367,.4006;.8695,.1167,2.5051;-1.2928,2.1049,3.6937;4.4223,1.4477,-.3896;-3.2,1.1077,2.9899;-6.0923,-3.8048,-.8193;-6.9035,-1.8368,-.0286;-.21,1.7734,1.1638;2.3874,.4227,-.2892;-5.6604,-.4177,-2.0391;-6.0353,1.7062,-1.7927;4.7333,-3.7962,.6731;-6.2843,.0138,-3.1564;-6.4814,1.2876,-3.0019;.508,2.1993,-.0349;1.761,1.4385,.508;.8016,.9485,1.6273;-1.6018,1.8148,1.3641;-2.4106,2.0447,.3019;-1.9459,2.1967,-1.134;-3.8972,2.1842,.4694;3.6948,.5064,-.6857;-2.0761,1.6558,2.825;4.1776,-.6653,-1.548;5.6179,-1.0473,-1.2674;5.9987,-1.7932,-.1312;6.6185,-.6198,-2.148;-5.523,.631,-1.197;4.9975,-2.3077,.8741;7.3535,-2.0793,.0913;7.9626,-.9219,-1.9281;8.3351,-1.6549,-.8019;-5.3206,-1.8205,-1.8481;-6.2147,-2.5588,-.7891;1.8381,-.3766,-.5734;5.5984,-4.3351,.7709;4.067,-4.156,1.364;4.3543,-3.9978,-.2566;.5996,3.2841,-.1238;2.5412,2.1162,.8592;-1.9768,3.2502,-1.4361;-2.6328,1.6616,-1.7974;-4.3424,2.8051,-.3099;-4.1556,2.5706,1.4506;3.5016,-1.5204,-1.4506;4.0949,-.3316,-2.5879;6.3361,-.0405,-3.0218;4.0247,-1.823,.8281;5.3729,-2.219,1.8939;7.6422,-2.6356,.9805;8.7147,-.5795,-2.632;9.378,-1.8886,-.6143;-5.405,-2.3006,-2.823;-4.2769,-1.8765,-1.5248;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1737730 0.0400757 0.0381983</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.2272" y3="1.341277" z3="-1.559212">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.835143" y3="0.61824" z3="0.33865">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.801338" y3="0.072949" z3="2.559376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.399617" y3="2.129917" z3="3.630906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.459377" y3="1.388158" z3="-0.211223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.286507" y3="1.136746" z3="2.865945">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.740899" y3="-3.627371" z3="-0.626824">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.348402" y3="-1.546691" z3="0.05233">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.223978" y3="1.683171" z3="1.128116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.44567" y3="0.31581" z3="-0.198986">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.899951" y3="-0.371921" z3="-2.004614">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.012948" y3="1.795885" z3="-1.890746">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.975048" y3="-3.882017" z3="0.54591">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.530304" y3="0.065506" z3="-3.121345">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.570886" y3="1.358679" z3="-3.046018">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.528571" y3="2.075207" z3="-0.055698">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.764113" y3="1.329454" z3="0.547469">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.764623" y3="0.860915" z3="1.640944">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.615848" y3="1.779778" z3="1.297958">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.389898" y3="1.998978" z3="0.209227">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.895045" y3="2.052512" z3="-1.221523">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.871984" y3="2.218937" z3="0.33696">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.76218" y3="0.438996" z3="-0.557999">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.146771" y3="1.665182" z3="2.740098">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.290977" y3="-0.688172" z3="-1.452156">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.751587" y3="-1.004949" z3="-1.202198">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.183223" y3="-1.792323" z3="-0.112032">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.717609" y3="-0.473338" z3="-2.063226">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.610369" y3="0.704441" z3="-1.240723">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.21192" y3="-2.407715" z3="0.861195">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.551951" y3="-2.014049" z3="0.088572">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.077898" y3="-0.710023" z3="-1.864437">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.49961" y3="-1.483768" z3="-0.782692">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.744028" y3="-1.795647" z3="-1.734922">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.733649" y3="-2.374366" z3="-0.661346">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.919674" y3="-0.482205" z3="-0.530346">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.841571" y3="-4.419353" z3="0.649771">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.281121" y3="-4.291896" z3="1.180852">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.640188" y3="-4.009077" z3="-0.412487">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.620944" y3="3.1567" z3="-0.175617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.506787" y3="2.031829" z3="0.932975">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.918192" y3="3.084202" z3="-1.590955">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.572148" y3="1.474989" z3="-1.860329">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.269581" y3="2.805952" z3="-0.492238">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.136187" y3="2.682416" z3="1.282292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.658334" y3="-1.576484" z3="-1.353219">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.169228" y3="-0.35055" z3="-2.487349">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.396033" y3="0.137256" z3="-2.901801">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.229433" y3="-1.944211" z3="0.849176">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.583117" y3="-2.390231" z3="1.886403">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.876146" y3="-2.601686" z3="0.943961">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.804238" y3="-0.284105" z3="-2.54959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.555109" y3="-1.668514" z3="-0.61177">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.879318" y3="-2.309637" z3="-2.68709">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.717114" y3="-1.966987" z3="-1.399036">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2272,1.3413,-1.5592;-4.8351,.6182,.3387;.8013,.0729,2.5594;-1.3996,2.1299,3.6309;4.4594,1.3882,-.2112;-3.2865,1.1367,2.8659;-6.7409,-3.6274,-.6268;-7.3484,-1.5467,.0523;-.224,1.6832,1.1281;2.4457,.3158,-.199;-5.9,-.3719,-2.0046;-6.0129,1.7959,-1.8907;4.975,-3.882,.5459;-6.5303,.0655,-3.1213;-6.5709,1.3587,-3.046;.5286,2.0752,-.0557;1.7641,1.3295,.5475;.7646,.8609,1.6409;-1.6158,1.7798,1.298;-2.3899,1.999,.2092;-1.895,2.0525,-1.2215;-3.872,2.2189,.337;3.7622,.439,-.558;-2.1468,1.6652,2.7401;4.291,-.6882,-1.4522;5.7516,-1.0049,-1.2022;6.1832,-1.7923,-.112;6.7176,-.4733,-2.0632;-5.6104,.7044,-1.2407;5.2119,-2.4077,.8612;7.552,-2.014,.0886;8.0779,-.71,-1.8644;8.4996,-1.4838,-.7827;-5.744,-1.7956,-1.7349;-6.7336,-2.3744,-.6613;1.9197,-.4822,-.5303;5.8416,-4.4194,.6498;4.2811,-4.2919,1.1809;4.6402,-4.0091,-.4125;.6209,3.1567,-.1756;2.5068,2.0318,.933;-1.9182,3.0842,-1.591;-2.5721,1.475,-1.8603;-4.2696,2.806,-.4922;-4.1362,2.6824,1.2823;3.6583,-1.5765,-1.3532;4.1692,-.3505,-2.4873;6.396,.1373,-2.9018;4.2294,-1.9442,.8492;5.5831,-2.3902,1.8864;7.8761,-2.6017,.944;8.8042,-.2841,-2.5496;9.5551,-1.6685,-.6118;-5.8793,-2.3096,-2.6871;-4.7171,-1.967,-1.399;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1821908 0.0378694 0.0364393</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.318182" y3="1.479129" z3="-1.575326">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.871652" y3="0.651192" z3="0.39905">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.746224" y3="0.057009" z3="2.47058">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.324824" y3="2.160025" z3="3.645329">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.387778" y3="1.378502" z3="-0.265609">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.324732" y3="1.352842" z3="2.956507">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322437" y3="-3.702264" z3="-0.588841">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.017685" y3="-1.641104" z3="0.065311">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.265595" y3="1.762243" z3="1.133101">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.352345" y3="0.358386" z3="-0.270737">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.670315" y3="-0.433448" z3="-2.006696">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-5.949807" y3="1.721879" z3="-1.931119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.929944" y3="-3.973684" z3="0.515247">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.223433" y3="-0.052875" z3="-3.180705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.368752" y3="1.23502" z3="-3.124116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.473277" y3="2.155929" z3="-0.064129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.70189" y3="1.373354" z3="0.502996">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.713184" y3="0.897478" z3="1.600022">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.659272" y3="1.848173" z3="1.322005">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.451499" y3="2.082341" z3="0.250256">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.970931" y3="2.199054" z3="-1.184986">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.934405" y3="2.271204" z3="0.399645">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.676088" y3="0.439727" z3="-0.605589">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.1465" y3="1.768822" z3="2.783749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.194047" y3="-0.717087" z3="-1.471192">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.649898" y3="-1.038355" z3="-1.202946">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.071555" y3="-1.847242" z3="-0.127471">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.626108" y3="-0.478437" z3="-2.037074">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.523193" y3="0.667248" z3="-1.236551">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.101785" y3="-2.493245" z3="0.830914">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.441215" y3="-2.072383" z3="0.076611">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.984659" y3="-0.714302" z3="-1.832569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.398116" y3="-1.516709" z3="-0.769662">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.405738" y3="-1.835132" z3="-1.709988">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.364802" y3="-2.452098" z3="-0.634794">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.809867" y3="-0.435987" z3="-0.580751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.82353" y3="-4.471008" z3="0.584025">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.276627" y3="-4.419609" z3="1.165087">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.575694" y3="-4.124736" z3="-0.434254">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591504" y3="3.237041" z3="-0.165874">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.474655" y3="2.049063" z3="0.87426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.975221" y3="3.248587" z3="-1.502898">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.666627" y3="1.67144" z3="-1.845184">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.352783" y3="2.868518" z3="-0.412762">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.188135" y3="2.72062" z3="1.355699">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.548621" y3="-1.592721" z3="-1.369065">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.087897" y3="-0.391222" z3="-2.512207">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.311854" y3="0.149227" z3="-2.865448">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.10289" y3="-2.060329" z3="0.807403">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.467675" y3="-2.45369" z3="1.857768">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.761795" y3="-2.68394" z3="0.915318">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.716268" y3="-0.270386" z3="-2.500433">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.453079" y3="-1.700396" z3="-0.594528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.484935" y3="-2.3763" z3="-2.652341">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.376966" y3="-1.918575" z3="-1.345699">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3182,1.4791,-1.5753;-4.8717,.6512,.3991;.7462,.057,2.4706;-1.3248,2.16,3.6453;4.3878,1.3785,-.2656;-3.3247,1.3528,2.9565;-6.3224,-3.7023,-.5888;-7.0177,-1.6411,.0653;-.2656,1.7622,1.1331;2.3523,.3584,-.2707;-5.6703,-.4334,-2.0067;-5.9498,1.7219,-1.9311;4.9299,-3.9737,.5152;-6.2234,-.0529,-3.1807;-6.3688,1.235,-3.1241;.4733,2.1559,-.0641;1.7019,1.3734,.503;.7132,.8975,1.6;-1.6593,1.8482,1.322;-2.4515,2.0823,.2503;-1.9709,2.1991,-1.185;-3.9344,2.2712,.3996;3.6761,.4397,-.6056;-2.1465,1.7688,2.7837;4.194,-.7171,-1.4712;5.6499,-1.0384,-1.2029;6.0716,-1.8472,-.1275;6.6261,-.4784,-2.0371;-5.5232,.6672,-1.2366;5.1018,-2.4932,.8309;7.4412,-2.0724,.0766;7.9847,-.7143,-1.8326;8.3981,-1.5167,-.7697;-5.4057,-1.8351,-1.71;-6.3648,-2.4521,-.6348;1.8099,-.436,-.5808;5.8235,-4.471,.584;4.2766,-4.4196,1.1651;4.5757,-4.1247,-.4343;.5915,3.237,-.1659;2.4747,2.0491,.8743;-1.9752,3.2486,-1.5029;-2.6666,1.6714,-1.8452;-4.3528,2.8685,-.4128;-4.1881,2.7206,1.3557;3.5486,-1.5927,-1.3691;4.0879,-.3912,-2.5122;6.3119,.1492,-2.8654;4.1029,-2.0603,.8074;5.4677,-2.4537,1.8578;7.7618,-2.6839,.9153;8.7163,-.2704,-2.5004;9.4531,-1.7004,-.5945;-5.4849,-2.3763,-2.6523;-4.377,-1.9186,-1.3457;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1757303 0.0394429 0.0377101</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.279061" y3="1.45456" z3="-1.55958">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.83208" y3="0.601285" z3="0.383554">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.807229" y3="0.085119" z3="2.509466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.334286" y3="2.134378" z3="3.659274">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422101" y3="1.40781" z3="-0.294695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.270747" y3="1.203598" z3="2.943878">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.360077" y3="-3.725544" z3="-0.684249">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.073353" y3="-1.690278" z3="0.028091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.233594" y3="1.745617" z3="1.142739">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.392386" y3="0.370967" z3="-0.256768">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.733357" y3="-0.411812" z3="-2.018788">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.000658" y3="1.739474" z3="-1.869496">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.870496" y3="-3.885241" z3="0.582174">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.334868" y3="0.003277" z3="-3.156779">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.469324" y3="1.289795" z3="-3.058809">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.501785" y3="2.150255" z3="-0.051368">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.741477" y3="1.386126" z3="0.517672">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.760196" y3="0.907457" z3="1.621998">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.626286" y3="1.818491" z3="1.330493">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.419432" y3="2.046633" z3="0.257254">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.940286" y3="2.157737" z3="-1.177523">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903885" y3="2.226537" z3="0.407386">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708543" y3="0.465052" z3="-0.620844">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.121653" y3="1.700364" z3="2.786818">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.216881" y3="-0.688953" z3="-1.493517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668721" y3="-1.031477" z3="-1.225974">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.077482" y3="-1.812252" z3="-0.123698">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.65217" y3="-0.527337" z3="-2.08533">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.549246" y3="0.665255" z3="-1.223338">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.094619" y3="-2.402174" z3="0.85651">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.441742" y3="-2.059143" z3="0.086105">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.006306" y3="-0.787987" z3="-1.876939">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.406255" y3="-1.557977" z3="-0.785034">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472086" y3="-1.822943" z3="-1.768746">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.417493" y3="-2.474458" z3="-0.698869">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.851877" y3="-0.426319" z3="-0.563539">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.746293" y3="-4.409378" z3="0.67172">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.199914" y3="-4.290223" z3="1.242935">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.513397" y3="-4.047989" z3="-0.363618">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.60287" y3="3.232952" z3="-0.15392">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.508539" y3="2.070264" z3="0.885877">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.95986" y3="3.203953" z3="-1.504811">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.627335" y3="1.612672" z3="-1.832998">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.326068" y3="2.82963" z3="-0.398296">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.162756" y3="2.657531" z3="1.369893">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.563693" y3="-1.560791" z3="-1.394102">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.114919" y3="-0.35651" z3="-2.532518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.348091" y3="0.078592" z3="-2.933541">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.10971" y3="-1.941173" z3="0.828054">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.464807" y3="-2.351137" z3="1.881033">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.751025" y3="-2.644534" z3="0.948428">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.744822" y3="-0.385751" z3="-2.563337">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.457215" y3="-1.76052" z3="-0.606597">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.569101" y3="-2.334475" z3="-2.726334">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.43702" y3="-1.922215" z3="-1.428056">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2791,1.4546,-1.5596;-4.8321,.6013,.3836;.8072,.0851,2.5095;-1.3343,2.1344,3.6593;4.4221,1.4078,-.2947;-3.2707,1.2036,2.9439;-6.3601,-3.7255,-.6842;-7.0734,-1.6903,.0281;-.2336,1.7456,1.1427;2.3924,.371,-.2568;-5.7334,-.4118,-2.0188;-6.0007,1.7395,-1.8695;4.8705,-3.8852,.5822;-6.3349,.0033,-3.1568;-6.4693,1.2898,-3.0588;.5018,2.1503,-.0514;1.7415,1.3861,.5177;.7602,.9075,1.622;-1.6263,1.8185,1.3305;-2.4194,2.0466,.2573;-1.9403,2.1577,-1.1775;-3.9039,2.2265,.4074;3.7085,.4651,-.6208;-2.1217,1.7004,2.7868;4.2169,-.689,-1.4935;5.6687,-1.0315,-1.226;6.0775,-1.8123,-.1237;6.6522,-.5273,-2.0853;-5.5492,.6653,-1.2233;5.0946,-2.4022,.8565;7.4417,-2.0591,.0861;8.0063,-.788,-1.8769;8.4063,-1.558,-.785;-5.4721,-1.8229,-1.7687;-6.4175,-2.4745,-.6989;1.8519,-.4263,-.5635;5.7463,-4.4094,.6717;4.1999,-4.2902,1.2429;4.5134,-4.048,-.3636;.6029,3.233,-.1539;2.5085,2.0703,.8859;-1.9599,3.204,-1.5048;-2.6273,1.6127,-1.833;-4.3261,2.8296,-.3983;-4.1628,2.6575,1.3699;3.5637,-1.5608,-1.3941;4.1149,-.3565,-2.5325;6.3481,.0786,-2.9335;4.1097,-1.9412,.8281;5.4648,-2.3511,1.881;7.751,-2.6445,.9484;8.7448,-.3858,-2.5633;9.4572,-1.7605,-.6066;-5.5691,-2.3345,-2.7263;-4.437,-1.9222,-1.4281;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1766451 0.0391979 0.0375041</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.271425" y3="1.46356" z3="-1.555901">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.808893" y3="0.561894" z3="0.374086">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.84659" y3="0.150694" z3="2.542904">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.328739" y3="2.182793" z3="3.656355">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.411255" y3="1.436465" z3="-0.376342">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.224353" y3="1.156271" z3="2.966596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.259659" y3="-3.747666" z3="-0.747194">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.978442" y3="-1.736818" z3="0.025423">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.222347" y3="1.767226" z3="1.146522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.392709" y3="0.386797" z3="-0.243376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.742728" y3="-0.399529" z3="-2.035046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.042951" y3="1.742634" z3="-1.821925">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.865868" y3="-3.896156" z3="0.612814">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.370719" y3="0.035378" z3="-3.150461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.528928" y3="1.316118" z3="-3.012731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.507777" y3="2.168199" z3="-0.053062">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.75529" y3="1.419109" z3="0.519453">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.786001" y3="0.956019" z3="1.641217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.615615" y3="1.818822" z3="1.335802">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.413974" y3="2.032371" z3="0.263907">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.93646" y3="2.15713" z3="-1.170802">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.899138" y3="2.198566" z3="0.419143">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.697229" y3="0.477398" z3="-0.647041">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.101083" y3="1.701946" z3="2.795715">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.189254" y3="-0.70513" z3="-1.491422">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.641095" y3="-1.050587" z3="-1.225134">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.056261" y3="-1.820249" z3="-0.118085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.620108" y3="-0.551893" z3="-2.093165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.555676" y3="0.659943" z3="-1.216923">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.079853" y3="-2.408208" z3="0.869928">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.422882" y3="-2.057638" z3="0.08983">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.975682" y3="-0.804595" z3="-1.887582">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.382595" y3="-1.56048" z3="-0.788454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.446188" y3="-1.810445" z3="-1.82831">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.338978" y3="-2.498423" z3="-0.738415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.847505" y3="-0.420068" z3="-0.514707">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.743044" y3="-4.416431" z3="0.707741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.197741" y3="-4.295927" z3="1.278763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.508151" y3="-4.07416" z3="-0.330473">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.602594" y3="3.251067" z3="-0.161007">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.531061" y3="2.10908" z3="0.856132">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.962834" y3="3.204383" z3="-1.494962">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.620067" y3="1.609846" z3="-1.828053">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.32903" y3="2.812666" z3="-0.373973">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.158125" y3="2.614053" z3="1.389179">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.524231" y3="-1.563871" z3="-1.372242">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.088703" y3="-0.392472" z3="-2.536534">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.31046" y3="0.044591" z3="-2.946052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.092599" y3="-1.951067" z3="0.835475">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.454611" y3="-2.343212" z3="1.892017">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.738272" y3="-2.629796" z3="0.958033">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.710063" y3="-0.406747" z3="-2.581001">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.435114" y3="-1.756383" z3="-0.611778">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.567768" y3="-2.302785" z3="-2.792915">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.398827" y3="-1.897492" z3="-1.522629">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2714,1.4636,-1.5559;-4.8089,.5619,.3741;.8466,.1507,2.5429;-1.3287,2.1828,3.6564;4.4113,1.4365,-.3763;-3.2244,1.1563,2.9666;-6.2597,-3.7477,-.7472;-6.9784,-1.7368,.0254;-.2223,1.7672,1.1465;2.3927,.3868,-.2434;-5.7427,-.3995,-2.035;-6.043,1.7426,-1.8219;4.8659,-3.8962,.6128;-6.3707,.0354,-3.1505;-6.5289,1.3161,-3.0127;.5078,2.1682,-.0531;1.7553,1.4191,.5195;.786,.956,1.6412;-1.6156,1.8188,1.3358;-2.414,2.0324,.2639;-1.9365,2.1571,-1.1708;-3.8991,2.1986,.4191;3.6972,.4774,-.647;-2.1011,1.7019,2.7957;4.1893,-.7051,-1.4914;5.6411,-1.0506,-1.2251;6.0563,-1.8202,-.1181;6.6201,-.5519,-2.0932;-5.5557,.6599,-1.2169;5.0799,-2.4082,.8699;7.4229,-2.0576,.0898;7.9757,-.8046,-1.8876;8.3826,-1.5605,-.7885;-5.4462,-1.8104,-1.8283;-6.339,-2.4984,-.7384;1.8475,-.4201,-.5147;5.743,-4.4164,.7077;4.1977,-4.2959,1.2788;4.5082,-4.0742,-.3305;.6026,3.2511,-.161;2.5311,2.1091,.8561;-1.9628,3.2044,-1.495;-2.6201,1.6098,-1.8281;-4.329,2.8127,-.374;-4.1581,2.6141,1.3892;3.5242,-1.5639,-1.3722;4.0887,-.3925,-2.5365;6.3105,.0446,-2.9461;4.0926,-1.9511,.8355;5.4546,-2.3432,1.892;7.7383,-2.6298,.958;8.7101,-.4067,-2.581;9.4351,-1.7564,-.6118;-5.5678,-2.3028,-2.7929;-4.3988,-1.8975,-1.5226;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1753353 0.0394285 0.0376570</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.300103" y3="1.46394" z3="-1.56914">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.824967" y3="0.571546" z3="0.396639">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.848991" y3="0.09307" z3="2.490041">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.299037" y3="2.117323" z3="3.662313">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.419197" y3="1.415327" z3="-0.361933">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.223924" y3="1.145396" z3="2.971776">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.250672" y3="-3.749334" z3="-0.775011">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.99854" y3="-1.752457" z3="0.006696">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.223752" y3="1.742574" z3="1.134259">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.387489" y3="0.382292" z3="-0.297293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.735804" y3="-0.385696" z3="-2.02458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.053019" y3="1.752877" z3="-1.800409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.844332" y3="-3.853149" z3="0.64409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.358427" y3="0.05185" z3="-3.142001">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.525326" y3="1.330565" z3="-2.998343">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.495563" y3="2.155114" z3="-0.067642">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746778" y3="1.397856" z3="0.484897">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.78364" y3="0.91449" z3="1.602979">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.614705" y3="1.800592" z3="1.337707">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.422045" y3="2.030793" z3="0.275155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.958152" y3="2.161825" z3="-1.163271">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.904967" y3="2.202654" z3="0.444229">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.702731" y3="0.467806" z3="-0.666927">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.089153" y3="1.668158" z3="2.800086">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.207267" y3="-0.706896" z3="-1.514736">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.657385" y3="-1.04841" z3="-1.234821">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.061609" y3="-1.802614" z3="-0.112811">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.644099" y3="-0.56956" z3="-2.105252">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.565194" y3="0.669696" z3="-1.197464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.07402" y3="-2.364679" z3="0.879544">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.425078" y3="-2.048135" z3="0.105902">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.996776" y3="-0.828972" z3="-1.888009">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.392438" y3="-1.572171" z3="-0.776006">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.433499" y3="-1.796312" z3="-1.824243">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.338527" y3="-2.500412" z3="-0.753489">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.84592" y3="-0.421835" z3="-0.583344">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.717275" y3="-4.380134" z3="0.739876">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.176043" y3="-4.238058" z3="1.318758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.479403" y3="-4.039729" z3="-0.294298">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.590128" y3="3.238847" z3="-0.166323">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.518895" y3="2.084763" z3="0.835942">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.980945" y3="3.211976" z3="-1.477524">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.651287" y3="1.624303" z3="-1.81846">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.338393" y3="2.822484" z3="-0.342808">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153136" y3="2.610937" z3="1.419335">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.548286" y3="-1.572183" z3="-1.400752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.111511" y3="-0.394596" z3="-2.560405">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.343098" y3="0.015068" z3="-2.969394">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.09098" y3="-1.900273" z3="0.835175">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.442726" y3="-2.288494" z3="1.902961">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.73212" y3="-2.612033" z3="0.983131">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.737847" y3="-0.446557" z3="-2.582948">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.44253" y3="-1.77354" z3="-0.591182">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.539344" y3="-2.281586" z3="-2.794345">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.389586" y3="-1.879514" z3="-1.506987">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3001,1.4639,-1.5691;-4.825,.5715,.3966;.849,.0931,2.49;-1.299,2.1173,3.6623;4.4192,1.4153,-.3619;-3.2239,1.1454,2.9718;-6.2507,-3.7493,-.775;-6.9985,-1.7525,.0067;-.2238,1.7426,1.1343;2.3875,.3823,-.2973;-5.7358,-.3857,-2.0246;-6.053,1.7529,-1.8004;4.8443,-3.8531,.6441;-6.3584,.0519,-3.142;-6.5253,1.3306,-2.9983;.4956,2.1551,-.0676;1.7468,1.3979,.4849;.7836,.9145,1.603;-1.6147,1.8006,1.3377;-2.422,2.0308,.2752;-1.9582,2.1618,-1.1633;-3.905,2.2027,.4442;3.7027,.4678,-.6669;-2.0892,1.6682,2.8001;4.2073,-.7069,-1.5147;5.6574,-1.0484,-1.2348;6.0616,-1.8026,-.1128;6.6441,-.5696,-2.1053;-5.5652,.6697,-1.1975;5.074,-2.3647,.8795;7.4251,-2.0481,.1059;7.9968,-.829,-1.888;8.3924,-1.5722,-.776;-5.4335,-1.7963,-1.8242;-6.3385,-2.5004,-.7535;1.8459,-.4218,-.5833;5.7173,-4.3801,.7399;4.176,-4.2381,1.3188;4.4794,-4.0397,-.2943;.5901,3.2388,-.1663;2.5189,2.0848,.8359;-1.9809,3.212,-1.4775;-2.6513,1.6243,-1.8185;-4.3384,2.8225,-.3428;-4.1531,2.6109,1.4193;3.5483,-1.5722,-1.4008;4.1115,-.3946,-2.5604;6.3431,.0151,-2.9694;4.091,-1.9003,.8352;5.4427,-2.2885,1.903;7.7321,-2.612,.9831;8.7378,-.4466,-2.5829;9.4425,-1.7735,-.5912;-5.5393,-2.2816,-2.7943;-4.3896,-1.8795,-1.507;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1766887 0.0393717 0.0376694</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.27964" y3="1.550788" z3="-1.634926">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.81309" y3="0.5238" z3="0.35646">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.833975" y3="0.075942" z3="2.420598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.193544" y3="1.979884" z3="3.565707">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.488515" y3="1.49951" z3="-0.342351">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.12953" y3="0.976117" z3="2.948932">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.421382" y3="-3.686024" z3="-0.488653">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.062524" y3="-1.581726" z3="0.142121">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.231452" y3="1.746235" z3="1.071736">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.437639" y3="0.483923" z3="-0.348993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.830262" y3="-0.445015" z3="-1.993051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.08988" y3="1.698315" z3="-1.828603">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.815173" y3="-3.847623" z3="0.4815">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.477729" y3="-0.045235" z3="-3.10598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.588493" y3="1.244381" z3="-3.010181">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.491815" y3="2.211543" z3="-0.106353">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.75158" y3="1.464391" z3="0.456926">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.780028" y3="0.926284" z3="1.542812">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.608015" y3="1.760219" z3="1.262292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.42408" y3="2.011979" z3="0.195176">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.957172" y3="2.201183" z3="-1.234212">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.902071" y3="2.16142" z3="0.388724">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.766712" y3="0.575393" z3="-0.686097">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.025908" y3="1.555339" z3="2.737816">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.28457" y3="-0.594351" z3="-1.534262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.724034" y3="-0.990276" z3="-1.19973">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.055501" y3="-1.800082" z3="-0.080678">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.770128" y3="-0.527225" z3="-2.010856">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.599222" y3="0.629189" z3="-1.209923">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.040032" y3="-2.395272" z3="0.859871">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.384236" y3="-2.105826" z3="0.191348">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.095712" y3="-0.851003" z3="-1.736721">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.403787" y3="-1.644773" z3="-0.629485">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.5478" y3="-1.841861" z3="-1.716629">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.443762" y3="-2.426061" z3="-0.559751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.921402" y3="-0.3194" z3="-0.674812">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.697628" y3="-4.375821" z3="0.540551">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.130293" y3="-4.312445" z3="1.080109">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.473543" y3="-3.932398" z3="-0.480671">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.568214" y3="3.300628" z3="-0.173333">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.508534" y3="2.144496" z3="0.841269">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.995596" y3="3.260617" z3="-1.510513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.636495" y3="1.675417" z3="-1.911695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.351059" y3="2.801776" z3="-0.376799">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.123543" y3="2.537803" z3="1.384216">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.618207" y3="-1.462644" z3="-1.478276">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.237994" y3="-0.246798" z3="-2.568271">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.530951" y3="0.096296" z3="-2.868829">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.057214" y3="-1.943824" z3="0.835162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.393346" y3="-2.379329" z3="1.899055">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.632592" y3="-2.70908" z3="1.059272">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.887263" y3="-0.480682" z3="-2.379928">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.434479" y3="-1.897292" z3="-0.400962">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.6918" y3="-2.386569" z3="-2.649198">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.499396" y3="-1.927443" z3="-1.42159">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2796,1.5508,-1.6349;-4.8131,.5238,.3565;.834,.0759,2.4206;-1.1935,1.9799,3.5657;4.4885,1.4995,-.3424;-3.1295,.9761,2.9489;-6.4214,-3.686,-.4887;-7.0625,-1.5817,.1421;-.2315,1.7462,1.0717;2.4376,.4839,-.349;-5.8303,-.445,-1.9931;-6.0899,1.6983,-1.8286;4.8152,-3.8476,.4815;-6.4777,-.0452,-3.106;-6.5885,1.2444,-3.0102;.4918,2.2115,-.1064;1.7516,1.4644,.4569;.78,.9263,1.5428;-1.608,1.7602,1.2623;-2.4241,2.012,.1952;-1.9572,2.2012,-1.2342;-3.9021,2.1614,.3887;3.7667,.5754,-.6861;-2.0259,1.5553,2.7378;4.2846,-.5944,-1.5343;5.724,-.9903,-1.1997;6.0555,-1.8001,-.0807;6.7701,-.5272,-2.0109;-5.5992,.6292,-1.2099;5.04,-2.3953,.8599;7.3842,-2.1058,.1913;8.0957,-.851,-1.7367;8.4038,-1.6448,-.6295;-5.5478,-1.8419,-1.7166;-6.4438,-2.4261,-.5598;1.9214,-.3194,-.6748;5.6976,-4.3758,.5406;4.1303,-4.3124,1.0801;4.4735,-3.9324,-.4807;.5682,3.3006,-.1733;2.5085,2.1445,.8413;-1.9956,3.2606,-1.5105;-2.6365,1.6754,-1.9117;-4.3511,2.8018,-.3768;-4.1235,2.5378,1.3842;3.6182,-1.4626,-1.4783;4.238,-.2468,-2.5683;6.531,.0963,-2.8688;4.0572,-1.9438,.8352;5.3933,-2.3793,1.8991;7.6326,-2.7091,1.0593;8.8873,-.4807,-2.3799;9.4345,-1.8973,-.401;-5.6918,-2.3866,-2.6492;-4.4994,-1.9274,-1.4216;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1808790 0.0387750 0.0374440</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.308324" y3="1.457875" z3="-1.63888">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.798838" y3="0.519029" z3="0.456192">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.834044" y3="0.100913" z3="2.431798">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.29114" y3="2.062927" z3="3.588129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.37861" y3="1.395123" z3="-0.389879">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.222251" y3="1.061852" z3="2.916601">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.307348" y3="-3.729652" z3="-0.870293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.936239" y3="-1.775621" z3="0.099113">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.217148" y3="1.723963" z3="1.071094">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.413344" y3="0.356043" z3="-0.346539">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.839431" y3="-0.328864" z3="-1.984306">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.139178" y3="1.793371" z3="-1.614725">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.8822" y3="-3.808502" z3="0.662293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.528903" y3="0.198132" z3="-3.013763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.703814" y3="1.469848" z3="-2.803285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.494806" y3="2.146567" z3="-0.124878">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.760598" y3="1.375124" z3="0.409859">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.795955" y3="0.906307" z3="1.534454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.600869" y3="1.777884" z3="1.279995">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.409123" y3="2.007216" z3="0.224977">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.965507" y3="2.141579" z3="-1.214691">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.885379" y3="2.1501" z3="0.46938">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.719231" y3="0.428473" z3="-0.718612">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.084532" y3="1.617365" z3="2.735421">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.265608" y3="-0.759416" z3="-1.552139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.712444" y3="-1.063751" z3="-1.230546">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.095714" y3="-1.790208" z3="-0.086046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.715111" y3="-0.582382" z3="-2.080048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.617785" y3="0.674292" z3="-1.103477">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.091171" y3="-2.329502" z3="0.879249">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.449173" y3="-2.025457" z3="0.187182">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.06176" y3="-0.820277" z3="-1.815439">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.435055" y3="-1.544912" z3="-0.680468">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.543568" y3="-1.750844" z3="-1.883877">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.381635" y3="-2.496199" z3="-0.777661">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.872947" y3="-0.452169" z3="-0.610735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.763893" y3="-4.323157" z3="0.782514">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.205307" y3="-4.177674" z3="1.331285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.537319" y3="-4.030406" z3="-0.269045">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.582499" y3="3.230061" z3="-0.218568">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.53538" y3="2.059996" z3="0.763006">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.0012" y3="3.19214" z3="-1.524983">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.667019" y3="1.598511" z3="-1.859742">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.372198" y3="2.771715" z3="-0.274993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.086188" y3="2.53787" z3="1.466575">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.622721" y3="-1.628492" z3="-1.428899">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.169567" y3="-0.482215" z3="-2.61523">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.42974" y3="-0.021279" z3="-2.965749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.099116" y3="-1.881748" z3="0.800298">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.431371" y3="-2.225473" z3="1.919846">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748387" y3="-2.569782" z3="1.07571">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.818452" y3="-0.444003" z3="-2.496093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.483819" y3="-1.726647" z3="-0.467271">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.72574" y3="-2.183509" z3="-2.86821">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.480336" y3="-1.865344" z3="-1.646561">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3083,1.4579,-1.6389;-4.7988,.519,.4562;.834,.1009,2.4318;-1.2911,2.0629,3.5881;4.3786,1.3951,-.3899;-3.2223,1.0619,2.9166;-6.3073,-3.7297,-.8703;-6.9362,-1.7756,.0991;-.2171,1.724,1.0711;2.4133,.356,-.3465;-5.8394,-.3289,-1.9843;-6.1392,1.7934,-1.6147;4.8822,-3.8085,.6623;-6.5289,.1981,-3.0138;-6.7038,1.4698,-2.8033;.4948,2.1466,-.1249;1.7606,1.3751,.4099;.796,.9063,1.5345;-1.6009,1.7779,1.28;-2.4091,2.0072,.225;-1.9655,2.1416,-1.2147;-3.8854,2.1501,.4694;3.7192,.4285,-.7186;-2.0845,1.6174,2.7354;4.2656,-.7594,-1.5521;5.7124,-1.0638,-1.2305;6.0957,-1.7902,-.086;6.7151,-.5824,-2.08;-5.6178,.6743,-1.1035;5.0912,-2.3295,.8792;7.4492,-2.0255,.1872;8.0618,-.8203,-1.8154;8.4351,-1.5449,-.6805;-5.5436,-1.7508,-1.8839;-6.3816,-2.4962,-.7777;1.8729,-.4522,-.6107;5.7639,-4.3232,.7825;4.2053,-4.1777,1.3313;4.5373,-4.0304,-.269;.5825,3.2301,-.2186;2.5354,2.06,.763;-2.0012,3.1921,-1.525;-2.667,1.5985,-1.8597;-4.3722,2.7717,-.275;-4.0862,2.5379,1.4666;3.6227,-1.6285,-1.4289;4.1696,-.4822,-2.6152;6.4297,-.0213,-2.9657;4.0991,-1.8817,.8003;5.4314,-2.2255,1.9198;7.7484,-2.5698,1.0757;8.8185,-.444,-2.4961;9.4838,-1.7266,-.4673;-5.7257,-2.1835,-2.8682;-4.4803,-1.8653,-1.6466;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1821002 0.0388784 0.0373696</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.327244" y3="1.365805" z3="-1.567989">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.809174" y3="0.560626" z3="0.496927">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.851023" y3="0.115476" z3="2.503951">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.395068" y3="2.204254" z3="3.675982">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.308075" y3="1.308742" z3="-0.400182">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.309313" y3="1.227363" z3="2.932043">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.123506" y3="-3.761958" z3="-1.162778">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.859814" y3="-1.941685" z3="-0.059351">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.208533" y3="1.716556" z3="1.135938">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.364357" y3="0.253492" z3="-0.286098">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.742683" y3="-0.273272" z3="-2.014079">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.104693" y3="1.836734" z3="-1.587304">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.913653" y3="-3.798484" z3="0.821327">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.413079" y3="0.287152" z3="-3.043435">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.645355" y3="1.540955" z3="-2.788116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.498761" y3="2.085836" z3="-0.082103">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.754974" y3="1.304691" z3="0.443943">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.80049" y3="0.891383" z3="1.598054">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.605556" y3="1.814566" z3="1.355427">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.405088" y3="2.020836" z3="0.304966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.964785" y3="2.09621" z3="-1.141592">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.887308" y3="2.185669" z3="0.52467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.655375" y3="0.319843" z3="-0.69039">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.144143" y3="1.728716" z3="2.793482">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.188448" y3="-0.87268" z3="-1.524341">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.642804" y3="-1.123359" z3="-1.261499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.097829" y3="-1.791781" z3="-0.11949">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.582388" y3="-0.629607" z3="-2.170367">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.58201" y3="0.707487" z3="-1.091985">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.12128" y3="-2.298386" z3="0.894083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.483475" y3="-1.965324" z3="0.095017">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.952182" y3="-0.802826" z3="-1.968397">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.412824" y3="-1.472989" z3="-0.834468">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.422416" y3="-1.698232" z3="-1.990593">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.264878" y3="-2.554403" z3="-0.981703">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.800814" y3="-0.553478" z3="-0.509688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.787705" y3="-4.303906" z3="0.979623">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.253761" y3="-4.080405" z3="1.551773">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.549539" y3="-4.118342" z3="-0.072868">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.603257" y3="3.163058" z3="-0.208003">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.543603" y3="1.996182" z3="0.763257">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.986217" y3="3.135931" z3="-1.490335">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.679267" y3="1.541621" z3="-1.763544">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.35941" y3="2.78646" z3="-0.241837">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.115485" y3="2.60546" z3="1.501502">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.55624" y3="-1.736648" z3="-1.343866">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.04304" y3="-0.633513" z3="-2.59482">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.23538" y3="-0.110255" z3="-3.057859">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.127437" y3="-1.843935" z3="0.792201">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.474024" y3="-2.133913" z3="1.914905">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.841191" y3="-2.467276" z3="0.988476">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.655274" y3="-0.41791" z3="-2.700457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.477364" y3="-1.603569" z3="-0.669602">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.568464" y3="-2.069535" z3="-3.005858">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.361427" y3="-1.806642" z3="-1.733211">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3272,1.3658,-1.568;-4.8092,.5606,.4969;.851,.1155,2.504;-1.3951,2.2043,3.676;4.3081,1.3087,-.4002;-3.3093,1.2274,2.932;-6.1235,-3.762,-1.1628;-6.8598,-1.9417,-.0594;-.2085,1.7166,1.1359;2.3644,.2535,-.2861;-5.7427,-.2733,-2.0141;-6.1047,1.8367,-1.5873;4.9137,-3.7985,.8213;-6.4131,.2872,-3.0434;-6.6454,1.541,-2.7881;.4988,2.0858,-.0821;1.755,1.3047,.4439;.8005,.8914,1.5981;-1.6056,1.8146,1.3554;-2.4051,2.0208,.305;-1.9648,2.0962,-1.1416;-3.8873,2.1857,.5247;3.6554,.3198,-.6904;-2.1441,1.7287,2.7935;4.1884,-.8727,-1.5243;5.6428,-1.1234,-1.2615;6.0978,-1.7918,-.1195;6.5824,-.6296,-2.1704;-5.582,.7075,-1.092;5.1213,-2.2984,.8941;7.4835,-1.9653,.095;7.9522,-.8028,-1.9684;8.4128,-1.473,-.8345;-5.4224,-1.6982,-1.9906;-6.2649,-2.5544,-.9817;1.8008,-.5535,-.5097;5.7877,-4.3039,.9796;4.2538,-4.0804,1.5518;4.5495,-4.1183,-.0729;.6033,3.1631,-.208;2.5436,1.9962,.7633;-1.9862,3.1359,-1.4903;-2.6793,1.5416,-1.7635;-4.3594,2.7865,-.2418;-4.1155,2.6055,1.5015;3.5562,-1.7366,-1.3439;4.043,-.6335,-2.5948;6.2354,-.1103,-3.0579;4.1274,-1.8439,.7922;5.474,-2.1339,1.9149;7.8412,-2.4673,.9885;8.6553,-.4179,-2.7005;9.4774,-1.6036,-.6696;-5.5685,-2.0695,-3.0059;-4.3614,-1.8066,-1.7332;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1779606 0.0395430 0.0376122</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.300539" y3="1.464629" z3="-1.56785">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.825237" y3="0.569259" z3="0.39695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.848742" y3="0.090805" z3="2.490277">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.29999" y3="2.113453" z3="3.664081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.41869" y3="1.416466" z3="-0.360414">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.224538" y3="1.141503" z3="2.972626">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.249532" y3="-3.751101" z3="-0.778411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.998056" y3="-1.755121" z3="0.00495">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.224422" y3="1.741084" z3="1.135781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.38731" y3="0.382753" z3="-0.296731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.735644" y3="-0.386256" z3="-2.025123">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.053534" y3="1.752032" z3="-1.799181">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.845408" y3="-3.852675" z3="0.641358">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.358344" y3="0.052039" z3="-3.142207">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.525654" y3="1.330581" z3="-2.99749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.494834" y3="2.15482" z3="-0.065742">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746249" y3="1.397488" z3="0.486245">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.783195" y3="0.912924" z3="1.60388">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.615406" y3="1.798518" z3="1.339199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.422754" y3="2.029339" z3="0.27679">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.958821" y3="2.161681" z3="-1.161502">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.905737" y3="2.200607" z3="0.445928">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.702543" y3="0.468968" z3="-0.666224">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.089911" y3="1.664749" z3="2.801437">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.207492" y3="-0.704888" z3="-1.514963">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.657699" y3="-1.046172" z3="-1.235245">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.062097" y3="-1.801156" z3="-0.113825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.644309" y3="-0.566305" z3="-2.105232">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.565407" y3="0.668497" z3="-1.197115">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.074624" y3="-2.364326" z3="0.878015">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.425633" y3="-2.046427" z3="0.104766">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.997057" y3="-0.825465" z3="-1.888125">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.392892" y3="-1.569442" z3="-0.776704">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.432916" y3="-1.796947" z3="-1.825956">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.33778" y3="-2.502229" z3="-0.755842">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.845999" y3="-0.421304" z3="-0.583461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.718507" y3="-4.37947" z3="0.736774">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.1772" y3="-4.238324" z3="1.315682">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.48059" y3="-4.038623" z3="-0.297198">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.589076" y3="3.238662" z3="-0.163534">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.518139" y3="2.084343" z3="0.837891">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.981916" y3="3.21208" z3="-1.474902">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.651757" y3="1.624481" z3="-1.817166">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.339314" y3="2.820946" z3="-0.340623">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.154085" y3="2.608016" z3="1.421353">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.548774" y3="-1.570469" z3="-1.401714">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.111692" y3="-0.391773" z3="-2.560386">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.343172" y3="0.018929" z3="-2.968918">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.091443" y3="-1.900184" z3="0.833958">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.443244" y3="-2.28885" z3="1.901515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.732805" y3="-2.610939" z3="0.981554">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.738044" y3="-0.442254" z3="-2.582714">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.443038" y3="-1.770629" z3="-0.591986">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.538563" y3="-2.281438" z3="-2.796471">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.388993" y3="-1.880095" z3="-1.508717">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3005,1.4646,-1.5678;-4.8252,.5693,.397;.8487,.0908,2.4903;-1.3,2.1135,3.6641;4.4187,1.4165,-.3604;-3.2245,1.1415,2.9726;-6.2495,-3.7511,-.7784;-6.9981,-1.7551,.005;-.2244,1.7411,1.1358;2.3873,.3828,-.2967;-5.7356,-.3863,-2.0251;-6.0535,1.752,-1.7992;4.8454,-3.8527,.6414;-6.3583,.052,-3.1422;-6.5257,1.3306,-2.9975;.4948,2.1548,-.0657;1.7462,1.3975,.4862;.7832,.9129,1.6039;-1.6154,1.7985,1.3392;-2.4228,2.0293,.2768;-1.9588,2.1617,-1.1615;-3.9057,2.2006,.4459;3.7025,.469,-.6662;-2.0899,1.6647,2.8014;4.2075,-.7049,-1.515;5.6577,-1.0462,-1.2352;6.0621,-1.8012,-.1138;6.6443,-.5663,-2.1052;-5.5654,.6685,-1.1971;5.0746,-2.3643,.878;7.4256,-2.0464,.1048;7.9971,-.8255,-1.8881;8.3929,-1.5694,-.7767;-5.4329,-1.7969,-1.826;-6.3378,-2.5022,-.7558;1.846,-.4213,-.5835;5.7185,-4.3795,.7368;4.1772,-4.2383,1.3157;4.4806,-4.0386,-.2972;.5891,3.2387,-.1635;2.5181,2.0843,.8379;-1.9819,3.2121,-1.4749;-2.6518,1.6245,-1.8172;-4.3393,2.8209,-.3406;-4.1541,2.608,1.4214;3.5488,-1.5705,-1.4017;4.1117,-.3918,-2.5604;6.3432,.0189,-2.9689;4.0914,-1.9002,.834;5.4432,-2.2889,1.9015;7.7328,-2.6109,.9816;8.738,-.4423,-2.5827;9.443,-1.7706,-.592;-5.5386,-2.2814,-2.7965;-4.389,-1.8801,-1.5087;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1766889 0.0393717 0.0376694</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.324789" y3="1.571657" z3="-1.592921">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.769696" y3="0.54119" z3="0.397118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.906104" y3="0.065555" z3="2.396437">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.184151" y3="2.016959" z3="3.660807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.482053" y3="1.453492" z3="-0.410297">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.126166" y3="1.039011" z3="3.073388">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.087042" y3="-3.841781" z3="-0.876985">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.82827" y3="-1.865944" z3="0.014041">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.223363" y3="1.767747" z3="1.12201">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.406043" y3="0.47578" z3="-0.340795">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.671115" y3="-0.409671" z3="-2.014463">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.046153" y3="1.712955" z3="-1.750281">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.748664" y3="-3.828644" z3="0.707926">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.337099" y3="0.024754" z3="-3.108621">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.536509" y3="1.294228" z3="-2.94167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.479404" y3="2.222394" z3="-0.079171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746653" y3="1.4673" z3="0.440064">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.809764" y3="0.927814" z3="1.543795">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.618701" y3="1.805352" z3="1.357065">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.443397" y3="2.062649" z3="0.306592">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.986162" y3="2.228763" z3="-1.131023">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.937476" y3="2.209834" z3="0.451909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.715175" y3="0.540062" z3="-0.699014">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.024364" y3="1.600369" z3="2.836385">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.179508" y3="-0.654283" z3="-1.537376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.612341" y3="-1.059567" z3="-1.245458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.000254" y3="-1.813798" z3="-0.108745">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.614513" y3="-0.615075" z3="-2.118559">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.516196" y3="0.634075" z3="-1.178933">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.015363" y3="-2.338107" z3="0.910525">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.359879" y3="-2.092828" z3="0.105766">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.960125" y3="-0.910458" z3="-1.898836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.337618" y3="-1.65066" z3="-0.784153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.335166" y3="-1.817811" z3="-1.867089">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.192459" y3="-2.579823" z3="-0.798709">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.867434" y3="-0.335877" z3="-0.626573">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.627198" y3="-4.346491" z3="0.788466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.087729" y3="-4.161693" z3="1.41884">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.364845" y3="-4.070602" z3="-0.205988">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.565688" y3="3.308193" z3="-0.151174">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.513237" y3="2.161163" z3="0.810356">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.024291" y3="3.288436" z3="-1.417534">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.673654" y3="1.701506" z3="-1.797476">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.378909" y3="2.828205" z3="-0.33574">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.216735" y3="2.607097" z3="1.42723">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.472124" y3="-1.480695" z3="-1.424174">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.085388" y3="-0.360786" z3="-2.58776">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.341216" y3="-0.03383" z3="-2.992195">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.050357" y3="-1.840241" z3="0.894457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.399326" y3="-2.289076" z3="1.922624">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.669103" y3="-2.651033" z3="0.990867">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.710519" y3="-0.556981" z3="-2.600008">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.38457" y3="-1.86824" z3="-0.603413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.457276" y3="-2.252218" z3="-2.858574">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.281405" y3="-1.893537" z3="-1.58362">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3248,1.5717,-1.5929;-4.7697,.5412,.3971;.9061,.0656,2.3964;-1.1842,2.017,3.6608;4.4821,1.4535,-.4103;-3.1262,1.039,3.0734;-6.087,-3.8418,-.877;-6.8283,-1.8659,.014;-.2234,1.7677,1.122;2.406,.4758,-.3408;-5.6711,-.4097,-2.0145;-6.0462,1.713,-1.7503;4.7487,-3.8286,.7079;-6.3371,.0248,-3.1086;-6.5365,1.2942,-2.9417;.4794,2.2224,-.0792;1.7467,1.4673,.4401;.8098,.9278,1.5438;-1.6187,1.8054,1.3571;-2.4434,2.0626,.3066;-1.9862,2.2288,-1.131;-3.9375,2.2098,.4519;3.7152,.5401,-.699;-2.0244,1.6004,2.8364;4.1795,-.6543,-1.5374;5.6123,-1.0596,-1.2455;6.0003,-1.8138,-.1087;6.6145,-.6151,-2.1186;-5.5162,.6341,-1.1789;5.0154,-2.3381,.9105;7.3599,-2.0928,.1058;7.9601,-.9105,-1.8988;8.3376,-1.6507,-.7842;-5.3352,-1.8178,-1.8671;-6.1925,-2.5798,-.7987;1.8674,-.3359,-.6266;5.6272,-4.3465,.7885;4.0877,-4.1617,1.4188;4.3648,-4.0706,-.206;.5657,3.3082,-.1512;2.5132,2.1612,.8104;-2.0243,3.2884,-1.4175;-2.6737,1.7015,-1.7975;-4.3789,2.8282,-.3357;-4.2167,2.6071,1.4272;3.4721,-1.4807,-1.4242;4.0854,-.3608,-2.5878;6.3412,-.0338,-2.9922;4.0504,-1.8402,.8945;5.3993,-2.2891,1.9226;7.6691,-2.651,.9909;8.7105,-.557,-2.6;9.3846,-1.8682,-.6034;-5.4573,-2.2522,-2.8586;-4.2814,-1.8935,-1.5836;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1737971 0.0399685 0.0382153</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.276791" y3="1.560547" z3="-1.622928">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.748228" y3="0.531176" z3="0.426118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.872551" y3="0.046252" z3="2.371008">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.268441" y3="2.091541" z3="3.631719">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.461169" y3="1.419865" z3="-0.360335">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.193547" y3="1.134696" z3="2.927632">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.187854" y3="-3.831623" z3="-0.753944">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.938334" y3="-1.875145" z3="0.114206">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.184281" y3="1.756613" z3="1.09151">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.420104" y3="0.425105" z3="-0.396376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.798358" y3="-0.428799" z3="-1.949104">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.112375" y3="1.704741" z3="-1.705239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.687028" y3="-3.827579" z3="0.559946">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.499313" y3="0.011333" z3="-3.020671">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.659555" y3="1.290599" z3="-2.87262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.530242" y3="2.203007" z3="-0.102505">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.778775" y3="1.414847" z3="0.416094">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.819511" y3="0.908587" z3="1.528963">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.580196" y3="1.802439" z3="1.30368">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.394297" y3="2.049856" z3="0.255963">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.939538" y3="2.22698" z3="-1.17941">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.881062" y3="2.186016" z3="0.441367">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.747809" y3="0.48938" z3="-0.716998">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.05277" y3="1.651301" z3="2.75934">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.27307" y3="-0.664074" z3="-1.584747">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.701861" y3="-1.040709" z3="-1.236806">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.039834" y3="-1.810405" z3="-0.103378">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.738912" y3="-0.559962" z3="-2.042756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.586204" y3="0.622668" z3="-1.126194">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="4.989431" y3="-2.352746" z3="0.82997">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.386563" y3="-2.079081" z3="0.187679">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.075815" y3="-0.838641" z3="-1.755613">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405143" y3="-1.602005" z3="-0.635656">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.466773" y3="-1.839825" z3="-1.790738">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.301253" y3="-2.588667" z3="-0.696852">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.87604" y3="-0.363616" z3="-0.719242">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.534883" y3="-4.387087" z3="0.690771">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="3.964206" y3="-4.186331" z3="1.193918">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.360511" y3="-3.985632" z3="-0.396435">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.633562" y3="3.287853" z3="-0.169502">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.55932" y3="2.077708" z3="0.796183">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.979003" y3="3.286484" z3="-1.460807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.629906" y3="1.700693" z3="-1.847286">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.347096" y3="2.803851" z3="-0.326081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.109623" y3="2.583941" z3="1.426679">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.577178" y3="-1.5069" z3="-1.53943">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.231096" y3="-0.327295" z3="-2.628322">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.493923" y3="0.046225" z3="-2.909665">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.031779" y3="-1.843813" z3="0.748262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.31674" y3="-2.317886" z3="1.872651">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.641873" y3="-2.644188" z3="1.080138">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.856093" y3="-0.447504" z3="-2.401268">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.442306" y3="-1.811774" z3="-0.396075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.616283" y3="-2.304943" z3="-2.765047">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.404598" y3="-1.911286" z3="-1.532428">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2768,1.5605,-1.6229;-4.7482,.5312,.4261;.8726,.0463,2.371;-1.2684,2.0915,3.6317;4.4612,1.4199,-.3603;-3.1935,1.1347,2.9276;-6.1879,-3.8316,-.7539;-6.9383,-1.8751,.1142;-.1843,1.7566,1.0915;2.4201,.4251,-.3964;-5.7984,-.4288,-1.9491;-6.1124,1.7047,-1.7052;4.687,-3.8276,.5599;-6.4993,.0113,-3.0207;-6.6596,1.2906,-2.8726;.5302,2.203,-.1025;1.7788,1.4148,.4161;.8195,.9086,1.529;-1.5802,1.8024,1.3037;-2.3943,2.0499,.256;-1.9395,2.227,-1.1794;-3.8811,2.186,.4414;3.7478,.4894,-.717;-2.0528,1.6513,2.7593;4.2731,-.6641,-1.5847;5.7019,-1.0407,-1.2368;6.0398,-1.8104,-.1034;6.7389,-.56,-2.0428;-5.5862,.6227,-1.1262;4.9894,-2.3527,.83;7.3866,-2.0791,.1877;8.0758,-.8386,-1.7556;8.4051,-1.602,-.6357;-5.4668,-1.8398,-1.7907;-6.3013,-2.5887,-.6969;1.876,-.3636,-.7192;5.5349,-4.3871,.6908;3.9642,-4.1863,1.1939;4.3605,-3.9856,-.3964;.6336,3.2879,-.1695;2.5593,2.0777,.7962;-1.979,3.2865,-1.4608;-2.6299,1.7007,-1.8473;-4.3471,2.8039,-.3261;-4.1096,2.5839,1.4267;3.5772,-1.5069,-1.5394;4.2311,-.3273,-2.6283;6.4939,.0462,-2.9097;4.0318,-1.8438,.7483;5.3167,-2.3179,1.8727;7.6419,-2.6442,1.0801;8.8561,-.4475,-2.4013;9.4423,-1.8118,-.3961;-5.6163,-2.3049,-2.765;-4.4046,-1.9113,-1.5324;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1776637 0.0393334 0.0376454</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.300606" y3="1.465409" z3="-1.567008">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.825154" y3="0.568542" z3="0.397506">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.848822" y3="0.089195" z3="2.490251">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.299953" y3="2.111122" z3="3.66533">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.418695" y3="1.416683" z3="-0.359609">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.224472" y3="1.139481" z3="2.973376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.249312" y3="-3.751295" z3="-0.780115">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.997921" y3="-1.755808" z3="0.004418">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.22443" y3="1.740261" z3="1.136789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.387333" y3="0.382894" z3="-0.296602">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.735768" y3="-0.385712" z3="-2.024994">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.053739" y3="1.752433" z3="-1.797881">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.84537" y3="-3.852987" z3="0.639119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.358619" y3="0.053146" z3="-3.141776">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.525963" y3="1.331606" z3="-2.996368">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.494777" y3="2.154743" z3="-0.064509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746235" y3="1.397128" z3="0.486994">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.783232" y3="0.911863" z3="1.604371">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.615418" y3="1.797494" z3="1.340278">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.42281" y3="2.028886" z3="0.278031">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.958924" y3="2.162111" z3="-1.160193">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.905804" y3="2.199943" z3="0.44731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.702578" y3="0.469349" z3="-0.665999">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.08987" y3="1.662869" z3="2.802447">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.20759" y3="-0.703985" z3="-1.515421">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.657792" y3="-1.045417" z3="-1.235819">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.062146" y3="-1.801032" z3="-0.114806">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.644443" y3="-0.565024" z3="-2.105466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.5655" y3="0.668602" z3="-1.196433">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.074627" y3="-2.364776" z3="0.87666">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.425673" y3="-2.0464" z3="0.103728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.997184" y3="-0.824279" z3="-1.888426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.392973" y3="-1.568887" z3="-0.77741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.432929" y3="-1.796495" z3="-1.826633">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.337647" y3="-2.502442" z3="-0.756839">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.846055" y3="-0.42101" z3="-0.583824">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.718463" y3="-4.379841" z3="0.734271">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.177112" y3="-4.23902" z3="1.313178">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.480596" y3="-4.038374" z3="-0.299564">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.588976" y3="3.238646" z3="-0.161662">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.518109" y3="2.083793" z3="0.839047">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.982099" y3="3.212696" z3="-1.472966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.651841" y3="1.625256" z3="-1.816159">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.339467" y3="2.820692" z3="-0.338869">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.154125" y3="2.606791" z3="1.422978">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.548856" y3="-1.56963" z3="-1.402742">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.11184" y3="-0.390255" z3="-2.560665">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.343347" y3="0.020709" z3="-2.968828">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.091457" y3="-1.900594" z3="0.832832">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.443209" y3="-2.289917" z3="1.900223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.732809" y3="-2.611389" z3="0.980221">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.738204" y3="-0.440639" z3="-2.582745">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.443113" y3="-1.770147" z3="-0.592742">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.538629" y3="-2.280451" z3="-2.797409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.388969" y3="-1.879746" z3="-1.509536">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3006,1.4654,-1.567;-4.8252,.5685,.3975;.8488,.0892,2.4903;-1.3,2.1111,3.6653;4.4187,1.4167,-.3596;-3.2245,1.1395,2.9734;-6.2493,-3.7513,-.7801;-6.9979,-1.7558,.0044;-.2244,1.7403,1.1368;2.3873,.3829,-.2966;-5.7358,-.3857,-2.025;-6.0537,1.7524,-1.7979;4.8454,-3.853,.6391;-6.3586,.0531,-3.1418;-6.526,1.3316,-2.9964;.4948,2.1547,-.0645;1.7462,1.3971,.487;.7832,.9119,1.6044;-1.6154,1.7975,1.3403;-2.4228,2.0289,.278;-1.9589,2.1621,-1.1602;-3.9058,2.1999,.4473;3.7026,.4693,-.666;-2.0899,1.6629,2.8024;4.2076,-.704,-1.5154;5.6578,-1.0454,-1.2358;6.0621,-1.801,-.1148;6.6444,-.565,-2.1055;-5.5655,.6686,-1.1964;5.0746,-2.3648,.8767;7.4257,-2.0464,.1037;7.9972,-.8243,-1.8884;8.393,-1.5689,-.7774;-5.4329,-1.7965,-1.8266;-6.3376,-2.5024,-.7568;1.8461,-.421,-.5838;5.7185,-4.3798,.7343;4.1771,-4.239,1.3132;4.4806,-4.0384,-.2996;.589,3.2386,-.1617;2.5181,2.0838,.839;-1.9821,3.2127,-1.473;-2.6518,1.6253,-1.8162;-4.3395,2.8207,-.3389;-4.1541,2.6068,1.423;3.5489,-1.5696,-1.4027;4.1118,-.3903,-2.5607;6.3433,.0207,-2.9688;4.0915,-1.9006,.8328;5.4432,-2.2899,1.9002;7.7328,-2.6114,.9802;8.7382,-.4406,-2.5827;9.4431,-1.7701,-.5927;-5.5386,-2.2805,-2.7974;-4.389,-1.8797,-1.5095;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1766903 0.0393716 0.0376693</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.374304" y3="1.367544" z3="-1.601961">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.868684" y3="0.571196" z3="0.42603">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.794401" y3="-0.005817" z3="2.460757">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.407789" y3="2.15624" z3="3.641576">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.325184" y3="1.31187" z3="-0.362454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.310925" y3="1.167564" z3="2.915874">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.446899" y3="-3.545824" z3="-0.687526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.049412" y3="-1.458863" z3="-0.071535">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.271938" y3="1.668814" z3="1.109444">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.325305" y3="0.244418" z3="-0.331539">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.757399" y3="-0.290305" z3="-2.019092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.039941" y3="1.832366" z3="-1.76042">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="5.116497" y3="-3.928632" z3="0.696658">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.366849" y3="0.179801" z3="-3.142429">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.511737" y3="1.455064" z3="-2.973254">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.449038" y3="2.044819" z3="-0.111799">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.68484" y3="1.276709" z3="0.442265">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.722928" y3="0.816169" z3="1.575537">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.667493" y3="1.765758" z3="1.321074">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.46478" y3="2.000013" z3="0.276566">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-2.011995" y3="2.104583" z3="-1.178599">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.944958" y3="2.202921" z3="0.450192">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.638411" y3="0.341342" z3="-0.680162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.178048" y3="1.676593" z3="2.768712">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.207427" y3="-0.8024" z3="-1.520953">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.659711" y3="-1.077958" z3="-1.212378">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.117707" y3="-1.803187" z3="-0.088037">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.607984" y3="-0.529833" z3="-2.081811">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.579626" y3="0.725165" z3="-1.172577">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.21471" y3="-2.429944" z3="0.948104">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.495101" y3="-1.955727" z3="0.103888">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.979621" y3="-0.695929" z3="-1.887893">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.431972" y3="-1.414452" z3="-0.787914">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.471588" y3="-1.699054" z3="-1.823077">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.43524" y3="-2.309135" z3="-0.763796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.797068" y3="-0.563051" z3="-0.617154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="6.051038" y3="-4.359992" z3="0.744399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.522064" y3="-4.388075" z3="1.390604">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.724451" y3="-4.121988" z3="-0.235674">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.568959" y3="3.125298" z3="-0.225436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.459637" y3="1.963697" z3="0.786668">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.009358" y3="3.15581" z3="-1.494345">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.719329" y3="1.586181" z3="-1.827376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.357027" y3="2.806377" z3="-0.357068">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.172985" y3="2.640776" z3="1.418784">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.604246" y3="-1.713804" z3="-1.434209">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.118205" y3="-0.496258" z3="-2.573794">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.26679" y3="0.035536" z3="-2.942284">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.192144" y3="-2.052804" z3="0.962161">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.61096" y3="-2.338204" z3="1.952884">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.843739" y3="-2.497559" z3="0.976414">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.68193" y3="-0.266517" z3="-2.595417">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.495041" y3="-1.547859" z3="-0.618061">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.559026" y3="-2.180153" z3="-2.795304">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.438128" y3="-1.81251" z3="-1.483924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3743,1.3675,-1.602;-4.8687,.5712,.426;.7944,-.0058,2.4608;-1.4078,2.1562,3.6416;4.3252,1.3119,-.3625;-3.3109,1.1676,2.9159;-6.4469,-3.5458,-.6875;-7.0494,-1.4589,-.0715;-.2719,1.6688,1.1094;2.3253,.2444,-.3315;-5.7574,-.2903,-2.0191;-6.0399,1.8324,-1.7604;5.1165,-3.9286,.6967;-6.3668,.1798,-3.1424;-6.5117,1.4551,-2.9733;.449,2.0448,-.1118;1.6848,1.2767,.4423;.7229,.8162,1.5755;-1.6675,1.7658,1.3211;-2.4648,2,.2766;-2.012,2.1046,-1.1786;-3.945,2.2029,.4502;3.6384,.3413,-.6802;-2.178,1.6766,2.7687;4.2074,-.8024,-1.521;5.6597,-1.078,-1.2124;6.1177,-1.8032,-.088;6.608,-.5298,-2.0818;-5.5796,.7252,-1.1726;5.2147,-2.4299,.9481;7.4951,-1.9557,.1039;7.9796,-.6959,-1.8879;8.432,-1.4145,-.7879;-5.4716,-1.6991,-1.8231;-6.4352,-2.3091,-.7638;1.7971,-.5631,-.6172;6.051,-4.36,.7444;4.5221,-4.3881,1.3906;4.7245,-4.122,-.2357;.569,3.1253,-.2254;2.4596,1.9637,.7867;-2.0094,3.1558,-1.4943;-2.7193,1.5862,-1.8274;-4.357,2.8064,-.3571;-4.173,2.6408,1.4188;3.6042,-1.7138,-1.4342;4.1182,-.4963,-2.5738;6.2668,.0355,-2.9423;4.1921,-2.0528,.9622;5.611,-2.3382,1.9529;7.8437,-2.4976,.9764;8.6819,-.2665,-2.5954;9.495,-1.5479,-.6181;-5.559,-2.1802,-2.7953;-4.4381,-1.8125,-1.4839;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1842953 0.0388433 0.0374196</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.289852" y3="1.460888" z3="-1.60487">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.815263" y3="0.584864" z3="0.414195">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.811732" y3="0.010701" z3="2.425091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.305172" y3="2.107755" z3="3.623158">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.424346" y3="1.356113" z3="-0.320069">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.207899" y3="1.099466" z3="2.926431">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.343352" y3="-3.730722" z3="-0.701124">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.1111" y3="-1.730235" z3="0.04102">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.21275" y3="1.715215" z3="1.104498">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.392711" y3="0.337964" z3="-0.338232">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.79461" y3="-0.380663" z3="-1.975095">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.059146" y3="1.770215" z3="-1.76734">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.861823" y3="-3.85956" z3="0.608761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.427192" y3="0.060223" z3="-3.085431">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.571457" y3="1.343133" z3="-2.945911">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.516341" y3="2.12142" z3="-0.096249">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.751851" y3="1.338949" z3="0.455984">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.772275" y3="0.855232" z3="1.559483">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.602934" y3="1.789665" z3="1.300024">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.405968" y3="2.043943" z3="0.239906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.935043" y3="2.187328" z3="-1.196376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.889823" y3="2.211928" z3="0.420507">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.712624" y3="0.422839" z3="-0.67378">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.083582" y3="1.647882" z3="2.758048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.239983" y3="-0.722187" z3="-1.543695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.690925" y3="-1.044908" z3="-1.236266">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.080832" y3="-1.794084" z3="-0.108328">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.690703" y3="-0.521818" z3="-2.06616">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.586164" y3="0.679543" z3="-1.165064">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.073902" y3="-2.368167" z3="0.85264">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.440735" y3="-2.018353" z3="0.148467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.041494" y3="-0.75776" z3="-1.814265">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.42176" y3="-1.511899" z3="-0.702491">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.517354" y3="-1.7950" z3="-1.771215">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.439413" y3="-2.483763" z3="-0.703858">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852912" y3="-0.459102" z3="-0.646849">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.74341" y3="-4.370444" z3="0.704739">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.1914" y3="-4.257223" z3="1.273541">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.508039" y3="-4.051433" z3="-0.334385">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.63569" y3="3.203437" z3="-0.186099">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.525434" y3="2.012233" z3="0.829885">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.935619" y3="3.241499" z3="-1.500225">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.633846" y3="1.671407" z3="-1.862404">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.340783" y3="2.820353" z3="-0.365321">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.127753" y3="2.627523" z3="1.395029">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.588296" y3="-1.595571" z3="-1.467727">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.158987" y3="-0.389132" z3="-2.585438">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.40225" y3="0.07528" z3="-2.926132">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.088652" y3="-1.905116" z3="0.784392">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.41384" y3="-2.300414" z3="1.888158">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.734731" y3="-2.585814" z3="1.027339">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.792843" y3="-0.353397" z3="-2.485317">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.470318" y3="-1.698674" z3="-0.495175">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.629498" y3="-2.27612" z3="-2.743463">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.473618" y3="-1.898651" z3="-1.457601">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2899,1.4609,-1.6049;-4.8153,.5849,.4142;.8117,.0107,2.4251;-1.3052,2.1078,3.6232;4.4243,1.3561,-.3201;-3.2079,1.0995,2.9264;-6.3434,-3.7307,-.7011;-7.1111,-1.7302,.041;-.2127,1.7152,1.1045;2.3927,.338,-.3382;-5.7946,-.3807,-1.9751;-6.0591,1.7702,-1.7673;4.8618,-3.8596,.6088;-6.4272,.0602,-3.0854;-6.5715,1.3431,-2.9459;.5163,2.1214,-.0962;1.7519,1.3389,.456;.7723,.8552,1.5595;-1.6029,1.7897,1.3;-2.406,2.0439,.2399;-1.935,2.1873,-1.1964;-3.8898,2.2119,.4205;3.7126,.4228,-.6738;-2.0836,1.6479,2.758;4.24,-.7222,-1.5437;5.6909,-1.0449,-1.2363;6.0808,-1.7941,-.1083;6.6907,-.5218,-2.0662;-5.5862,.6795,-1.1651;5.0739,-2.3682,.8526;7.4407,-2.0184,.1485;8.0415,-.7578,-1.8143;8.4218,-1.5119,-.7025;-5.5174,-1.795,-1.7712;-6.4394,-2.4838,-.7039;1.8529,-.4591,-.6468;5.7434,-4.3704,.7047;4.1914,-4.2572,1.2735;4.508,-4.0514,-.3344;.6357,3.2034,-.1861;2.5254,2.0122,.8299;-1.9356,3.2415,-1.5002;-2.6338,1.6714,-1.8624;-4.3408,2.8204,-.3653;-4.1278,2.6275,1.395;3.5883,-1.5956,-1.4677;4.159,-.3891,-2.5854;6.4023,.0753,-2.9261;4.0887,-1.9051,.7844;5.4138,-2.3004,1.8882;7.7347,-2.5858,1.0273;8.7928,-.3534,-2.4853;9.4703,-1.6987,-.4952;-5.6295,-2.2761,-2.7435;-4.4736,-1.8987,-1.4576;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1803173 0.0389750 0.0374530</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.300525" y3="1.464612" z3="-1.567974">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.825105" y3="0.569645" z3="0.397453">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.84889" y3="0.090688" z3="2.490036">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.299508" y3="2.113758" z3="3.663994">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.418813" y3="1.416091" z3="-0.360697">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.224099" y3="1.141747" z3="2.972762">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.250104" y3="-3.750692" z3="-0.777245">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.998516" y3="-1.754584" z3="0.005874">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.224153" y3="1.741137" z3="1.135653">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.387364" y3="0.38254" z3="-0.297051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.736012" y3="-0.38602" z3="-2.024357">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.053582" y3="1.752346" z3="-1.798606">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.845354" y3="-3.852868" z3="0.641052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.358816" y3="0.052228" z3="-3.141402">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.525957" y3="1.330806" z3="-2.996781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.495051" y3="2.154747" z3="-0.065953">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746423" y3="1.397301" z3="0.485971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.783389" y3="0.912844" z3="1.603668">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.615112" y3="1.798705" z3="1.339164">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.422531" y3="2.029588" z3="0.27682">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.958695" y3="2.161868" z3="-1.161514">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.905494" y3="2.200936" z3="0.446112">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.702589" y3="0.468665" z3="-0.66655">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.0895" y3="1.665012" z3="2.801443">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.207468" y3="-0.705168" z3="-1.515343">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.657686" y3="-1.046465" z3="-1.235646">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.062093" y3="-1.801402" z3="-0.114202">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.644297" y3="-0.566557" z3="-2.105613">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.565513" y3="0.668805" z3="-1.196502">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.074615" y3="-2.364509" z3="0.877656">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.425622" y3="-2.046672" z3="0.104404">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.997043" y3="-0.825713" z3="-1.888499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.392879" y3="-1.569693" z3="-0.777074">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.433429" y3="-1.796724" z3="-1.82509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.3383" y3="-2.501814" z3="-0.754852">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.845994" y3="-0.421483" z3="-0.583769">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.718463" y3="-4.379652" z3="0.736408">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.177179" y3="-4.238501" z3="1.315418">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.480476" y3="-4.038846" z3="-0.297481">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.589423" y3="3.238574" z3="-0.163787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.518385" y3="2.084091" z3="0.837587">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.981688" y3="3.212265" z3="-1.474936">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.651735" y3="1.62474" z3="-1.817124">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.33916" y3="2.821215" z3="-0.340438">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153699" y3="2.608441" z3="1.421533">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.548732" y3="-1.570736" z3="-1.40212">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.111647" y3="-0.392029" z3="-2.560759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.343161" y3="0.018693" z3="-2.969288">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.091448" y3="-1.900323" z3="0.833594">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.443242" y3="-2.289035" z3="1.901159">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.732794" y3="-2.61117" z3="0.9812">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.738029" y3="-0.44251" z3="-2.583094">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.443025" y3="-1.770887" z3="-0.592364">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.539206" y3="-2.281275" z3="-2.795563">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.389484" y3="-1.879972" z3="-1.507944">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3005,1.4646,-1.568;-4.8251,.5696,.3975;.8489,.0907,2.49;-1.2995,2.1138,3.664;4.4188,1.4161,-.3607;-3.2241,1.1417,2.9728;-6.2501,-3.7507,-.7772;-6.9985,-1.7546,.0059;-.2242,1.7411,1.1357;2.3874,.3825,-.2971;-5.736,-.386,-2.0244;-6.0536,1.7523,-1.7986;4.8454,-3.8529,.6411;-6.3588,.0522,-3.1414;-6.526,1.3308,-2.9968;.4951,2.1547,-.066;1.7464,1.3973,.486;.7834,.9128,1.6037;-1.6151,1.7987,1.3392;-2.4225,2.0296,.2768;-1.9587,2.1619,-1.1615;-3.9055,2.2009,.4461;3.7026,.4687,-.6665;-2.0895,1.665,2.8014;4.2075,-.7052,-1.5153;5.6577,-1.0465,-1.2356;6.0621,-1.8014,-.1142;6.6443,-.5666,-2.1056;-5.5655,.6688,-1.1965;5.0746,-2.3645,.8777;7.4256,-2.0467,.1044;7.997,-.8257,-1.8885;8.3929,-1.5697,-.7771;-5.4334,-1.7967,-1.8251;-6.3383,-2.5018,-.7549;1.846,-.4215,-.5838;5.7185,-4.3797,.7364;4.1772,-4.2385,1.3154;4.4805,-4.0388,-.2975;.5894,3.2386,-.1638;2.5184,2.0841,.8376;-1.9817,3.2123,-1.4749;-2.6517,1.6247,-1.8171;-4.3392,2.8212,-.3404;-4.1537,2.6084,1.4215;3.5487,-1.5707,-1.4021;4.1116,-.392,-2.5608;6.3432,.0187,-2.9693;4.0914,-1.9003,.8336;5.4432,-2.289,1.9012;7.7328,-2.6112,.9812;8.738,-.4425,-2.5831;9.443,-1.7709,-.5924;-5.5392,-2.2813,-2.7956;-4.3895,-1.88,-1.5079;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1767006 0.0393703 0.0376686</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.260705" y3="1.491968" z3="-1.611827">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.823083" y3="0.538919" z3="0.387977">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.848112" y3="0.057056" z3="2.466639">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.375057" y3="1.988234" z3="3.633377">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.519007" y3="1.373093" z3="-0.390427">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.285604" y3="1.069513" z3="2.806106">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.335529" y3="-3.711047" z3="-0.806831">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.08373" y3="-1.724889" z3="0.02679">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.222323" y3="1.722675" z3="1.107987">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.413903" y3="0.393142" z3="-0.295132">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.8681" y3="-0.325646" z3="-2.007467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.131039" y3="1.801456" z3="-1.713013">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="5.012517" y3="-3.894699" z3="0.726068">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.546679" y3="0.134687" z3="-3.089984">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.675327" y3="1.403298" z3="-2.900184">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.511096" y3="2.157949" z3="-0.082592">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.759069" y3="1.394088" z3="0.48356">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.794467" y3="0.894727" z3="1.580247">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.601178" y3="1.75654" z3="1.282179">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.396479" y3="2.009321" z3="0.210162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.923093" y3="2.190934" z3="-1.231735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.864589" y3="2.153596" z3="0.436513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.733384" y3="0.455262" z3="-0.665849">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.134772" y3="1.579323" z3="2.717458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.189177" y3="-0.727294" z3="-1.511361">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.646685" y3="-1.06974" z3="-1.21441">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.079669" y3="-1.798277" z3="-0.092756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.626136" y3="-0.58476" z3="-2.113857">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.646152" y3="0.700605" z3="-1.162141">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.156629" y3="-2.399422" z3="0.935809">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.442942" y3="-1.996748" z3="0.11972">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.97939" y3="-0.806262" z3="-1.902138">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.396942" y3="-1.514961" z3="-0.772243">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.55764" y3="-1.739171" z3="-1.855499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.433838" y3="-2.45399" z3="-0.761398">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.86468" y3="-0.402829" z3="-0.582818">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.939871" y3="-4.348348" z3="0.833357">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.383455" y3="-4.299918" z3="1.422539">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.646789" y3="-4.143215" z3="-0.205158">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.606301" y3="3.242698" z3="-0.16489">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.515992" y3="2.081938" z3="0.850544">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.938523" y3="3.246309" z3="-1.522821">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.606686" y3="1.672576" z3="-1.906659">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333644" y3="2.800732" z3="-0.311096">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.056842" y3="2.521778" z3="1.436332">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.508172" y3="-1.573653" z3="-1.388174">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.098911" y3="-0.418448" z3="-2.556649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.307002" y3="-0.017686" z3="-2.98208">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.15279" y3="-1.975339" z3="0.891771">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.547941" y3="-2.2949" z3="1.940836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.757411" y3="-2.530899" z3="1.001225">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.707397" y3="-0.415067" z3="-2.604162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.451589" y3="-1.68724" z3="-0.585059">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.695462" y3="-2.209808" z3="-2.826427">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.509702" y3="-1.831369" z3="-1.571013">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2607,1.492,-1.6118;-4.8231,.5389,.388;.8481,.0571,2.4666;-1.3751,1.9882,3.6334;4.519,1.3731,-.3904;-3.2856,1.0695,2.8061;-6.3355,-3.711,-.8068;-7.0837,-1.7249,.0268;-.2223,1.7227,1.108;2.4139,.3931,-.2951;-5.8681,-.3256,-2.0075;-6.131,1.8015,-1.713;5.0125,-3.8947,.7261;-6.5467,.1347,-3.09;-6.6753,1.4033,-2.9002;.5111,2.1579,-.0826;1.7591,1.3941,.4836;.7945,.8947,1.5802;-1.6012,1.7565,1.2822;-2.3965,2.0093,.2102;-1.9231,2.1909,-1.2317;-3.8646,2.1536,.4365;3.7334,.4553,-.6658;-2.1348,1.5793,2.7175;4.1892,-.7273,-1.5114;5.6467,-1.0697,-1.2144;6.0797,-1.7983,-.0928;6.6261,-.5848,-2.1139;-5.6462,.7006,-1.1621;5.1566,-2.3994,.9358;7.4429,-1.9967,.1197;7.9794,-.8063,-1.9021;8.3969,-1.515,-.7722;-5.5576,-1.7392,-1.8555;-6.4338,-2.454,-.7614;1.8647,-.4028,-.5828;5.9399,-4.3483,.8334;4.3835,-4.2999,1.4225;4.6468,-4.1432,-.2052;.6063,3.2427,-.1649;2.516,2.0819,.8505;-1.9385,3.2463,-1.5228;-2.6067,1.6726,-1.9067;-4.3336,2.8007,-.3111;-4.0568,2.5218,1.4363;3.5082,-1.5737,-1.3882;4.0989,-.4184,-2.5566;6.307,-.0177,-2.9821;4.1528,-1.9753,.8918;5.5479,-2.2949,1.9408;7.7574,-2.5309,1.0012;8.7074,-.4151,-2.6042;9.4516,-1.6872,-.5851;-5.6955,-2.2098,-2.8264;-4.5097,-1.8314,-1.571;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1807552 0.0386362 0.0372283</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.289561" y3="1.429029" z3="-1.535623">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.891441" y3="0.577646" z3="0.347997">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.904527" y3="0.098962" z3="2.53556">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.24034" y3="2.123384" z3="3.704627">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.408692" y3="1.420676" z3="-0.350165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.168414" y3="1.140761" z3="3.058871">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.432252" y3="-3.664179" z3="-0.586696">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.101481" y3="-1.547544" z3="-0.023043">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.205437" y3="1.737218" z3="1.170387">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.384045" y3="0.369974" z3="-0.303149">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.746221" y3="-0.432728" z3="-2.056428">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-5.988332" y3="1.730975" z3="-1.91033">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.808847" y3="-3.848178" z3="0.549541">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.31797" y3="-0.029212" z3="-3.213995">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.444476" y3="1.250614" z3="-3.097363">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.502877" y3="2.137125" z3="-0.041653">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.756798" y3="1.377514" z3="0.48569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.823456" y3="0.91797" z3="1.635858">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.589563" y3="1.79047" z3="1.378412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.412384" y3="2.008119" z3="0.292972">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.945727" y3="2.124266" z3="-1.138557">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.905205" y3="2.18678" z3="0.405696">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.701936" y3="0.462997" z3="-0.684194">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.043577" y3="1.659911" z3="2.858802">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.23646" y3="-0.695293" z3="-1.546556">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.683457" y3="-1.024603" z3="-1.235229">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.064782" y3="-1.796001" z3="-0.121567">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.689238" y3="-0.520339" z3="-2.081616">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.570039" y3="0.655714" z3="-1.266297">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.040473" y3="-2.3865" z3="0.83853">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.438206" y3="-2.030499" z3="0.11871">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.039082" y3="-0.762913" z3="-1.836075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.417703" y3="-1.524648" z3="-0.726881">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.493581" y3="-1.833723" z3="-1.774228">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.475092" y3="-2.40309" z3="-0.687427">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.832047" y3="-0.431917" z3="-0.576309">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.65955" y3="-4.386134" z3="0.665252">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.110421" y3="-4.246737" z3="1.189154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.470811" y3="-3.997632" z3="-0.405039">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.594621" y3="3.220572" z3="-0.148385">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.528684" y3="2.071266" z3="0.823476">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.961538" y3="3.168898" z3="-1.461789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.643877" y3="1.579638" z3="-1.782416">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.298428" y3="2.798881" z3="-0.412799">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.181218" y3="2.609345" z3="1.357179">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.600095" y3="-1.588303" z3="-1.466317">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.16012" y3="-0.36445" z3="-2.583691">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.396369" y3="0.072356" z3="-2.94203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.058629" y3="-1.932997" z3="0.764729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.373689" y3="-2.33168" z3="1.868326">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.738145" y3="-2.613795" z3="0.991649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.793679" y3="-0.357723" z3="-2.502824">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.466185" y3="-1.717999" z3="-0.523477">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.572197" y3="-2.386494" z3="-2.709523">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.473625" y3="-1.928963" z3="-1.400406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2896,1.429,-1.5356;-4.8914,.5776,.348;.9045,.099,2.5356;-1.2403,2.1234,3.7046;4.4087,1.4207,-.3502;-3.1684,1.1408,3.0589;-6.4323,-3.6642,-.5867;-7.1015,-1.5475,-.023;-.2054,1.7372,1.1704;2.384,.37,-.3031;-5.7462,-.4327,-2.0564;-5.9883,1.731,-1.9103;4.8088,-3.8482,.5495;-6.318,-.0292,-3.214;-6.4445,1.2506,-3.0974;.5029,2.1371,-.0417;1.7568,1.3775,.4857;.8235,.918,1.6359;-1.5896,1.7905,1.3784;-2.4124,2.0081,.293;-1.9457,2.1243,-1.1386;-3.9052,2.1868,.4057;3.7019,.463,-.6842;-2.0436,1.6599,2.8588;4.2365,-.6953,-1.5466;5.6835,-1.0246,-1.2352;6.0648,-1.796,-.1216;6.6892,-.5203,-2.0816;-5.57,.6557,-1.2663;5.0405,-2.3865,.8385;7.4382,-2.0305,.1187;8.0391,-.7629,-1.8361;8.4177,-1.5246,-.7269;-5.4936,-1.8337,-1.7742;-6.4751,-2.4031,-.6874;1.832,-.4319,-.5763;5.6596,-4.3861,.6653;4.1104,-4.2467,1.1892;4.4708,-3.9976,-.405;.5946,3.2206,-.1484;2.5287,2.0713,.8235;-1.9615,3.1689,-1.4618;-2.6439,1.5796,-1.7824;-4.2984,2.7989,-.4128;-4.1812,2.6093,1.3572;3.6001,-1.5883,-1.4663;4.1601,-.3644,-2.5837;6.3964,.0724,-2.942;4.0586,-1.933,.7647;5.3737,-2.3317,1.8683;7.7381,-2.6138,.9916;8.7937,-.3577,-2.5028;9.4662,-1.718,-.5235;-5.5722,-2.3865,-2.7095;-4.4736,-1.929,-1.4004;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1770799 0.0391173 0.0374592</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.300478" y3="1.46459" z3="-1.56796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.825156" y3="0.569726" z3="0.397132">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.84891" y3="0.091074" z3="2.490245">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.299602" y3="2.11398" z3="3.663954">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.418821" y3="1.41622" z3="-0.360752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.224256" y3="1.142097" z3="2.972707">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.249849" y3="-3.750638" z3="-0.777613">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.998185" y3="-1.754486" z3="0.005504">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.224213" y3="1.741301" z3="1.135639">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.387356" y3="0.38266" z3="-0.296874">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.735744" y3="-0.385993" z3="-2.024781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.053455" y3="1.752346" z3="-1.799081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.845181" y3="-3.852879" z3="0.641474">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.358456" y3="0.052207" z3="-3.141895">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.525652" y3="1.33078" z3="-2.997321">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.495014" y3="2.154872" z3="-0.065959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746402" y3="1.39751" z3="0.486042">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.783372" y3="0.913117" z3="1.603771">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.61518" y3="1.798846" z3="1.339119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.422568" y3="2.029621" z3="0.276723">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.958694" y3="2.161794" z3="-1.161603">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.905532" y3="2.201013" z3="0.445904">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.702581" y3="0.468749" z3="-0.666437">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.089607" y3="1.665249" z3="2.8014">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.207402" y3="-0.705223" z3="-1.515088">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.657598" y3="-1.046597" z3="-1.235404">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.061987" y3="-1.801515" z3="-0.113934">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.644208" y3="-0.566888" z3="-2.105479">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.565388" y3="0.668847" z3="-1.196908">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.074518" y3="-2.364528" z3="0.878005">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.425513" y3="-2.046872" z3="0.104616">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.996944" y3="-0.826136" z3="-1.88841">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.392769" y3="-1.570045" z3="-0.776939">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.433115" y3="-1.796681" z3="-1.825447">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.337993" y3="-2.50175" z3="-0.755206">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.845977" y3="-0.421387" z3="-0.583506">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.718245" y3="-4.37973" z3="0.73689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.176974" y3="-4.238432" z3="1.315856">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.480305" y3="-4.038867" z3="-0.297053">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.589325" y3="3.238698" z3="-0.163861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.518355" y3="2.084346" z3="0.837586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.98173" y3="3.212165" z3="-1.475102">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.651698" y3="1.62458" z3="-1.817183">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.339093" y3="2.821307" z3="-0.340694">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153808" y3="2.608537" z3="1.421299">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.548625" y3="-1.570749" z3="-1.401735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.111582" y3="-0.392192" z3="-2.560531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.343077" y3="0.018293" z3="-2.969203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.09137" y3="-1.900322" z3="0.83396">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.443195" y3="-2.288995" z3="1.90148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.732679" y3="-2.611331" z3="0.981441">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.737932" y3="-0.443046" z3="-2.583065">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.442907" y3="-1.771299" z3="-0.592249">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.538835" y3="-2.281289" z3="-2.795896">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.389187" y3="-1.879868" z3="-1.508237">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3005,1.4646,-1.568;-4.8252,.5697,.3971;.8489,.0911,2.4902;-1.2996,2.114,3.664;4.4188,1.4162,-.3608;-3.2243,1.1421,2.9727;-6.2498,-3.7506,-.7776;-6.9982,-1.7545,.0055;-.2242,1.7413,1.1356;2.3874,.3827,-.2969;-5.7357,-.386,-2.0248;-6.0535,1.7523,-1.7991;4.8452,-3.8529,.6415;-6.3585,.0522,-3.1419;-6.5257,1.3308,-2.9973;.495,2.1549,-.066;1.7464,1.3975,.486;.7834,.9131,1.6038;-1.6152,1.7988,1.3391;-2.4226,2.0296,.2767;-1.9587,2.1618,-1.1616;-3.9055,2.201,.4459;3.7026,.4687,-.6664;-2.0896,1.6652,2.8014;4.2074,-.7052,-1.5151;5.6576,-1.0466,-1.2354;6.062,-1.8015,-.1139;6.6442,-.5669,-2.1055;-5.5654,.6688,-1.1969;5.0745,-2.3645,.878;7.4255,-2.0469,.1046;7.9969,-.8261,-1.8884;8.3928,-1.57,-.7769;-5.4331,-1.7967,-1.8254;-6.338,-2.5017,-.7552;1.846,-.4214,-.5835;5.7182,-4.3797,.7369;4.177,-4.2384,1.3159;4.4803,-4.0389,-.2971;.5893,3.2387,-.1639;2.5184,2.0843,.8376;-1.9817,3.2122,-1.4751;-2.6517,1.6246,-1.8172;-4.3391,2.8213,-.3407;-4.1538,2.6085,1.4213;3.5486,-1.5707,-1.4017;4.1116,-.3922,-2.5605;6.3431,.0183,-2.9692;4.0914,-1.9003,.834;5.4432,-2.289,1.9015;7.7327,-2.6113,.9814;8.7379,-.443,-2.5831;9.4429,-1.7713,-.5922;-5.5388,-2.2813,-2.7959;-4.3892,-1.8799,-1.5082;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1766887 0.0393717 0.0376694</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.250037" y3="1.560112" z3="-1.536206">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.79488" y3="0.588203" z3="0.374358">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.801977" y3="0.144809" z3="2.518173">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.453481" y3="2.167734" z3="3.706845">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.434437" y3="1.461664" z3="-0.242509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.309486" y3="1.151721" z3="2.893511">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.162506" y3="-3.779231" z3="-0.678228">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.905914" y3="-1.755083" z3="0.0293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.248201" y3="1.815806" z3="1.172834">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.379273" y3="0.471013" z3="-0.224896">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.636806" y3="-0.477656" z3="-2.038778">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.009666" y3="1.653136" z3="-1.884192">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.771198" y3="-3.891373" z3="0.592376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.237448" y3="-0.089804" z3="-3.187494">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.448487" y3="1.181599" z3="-3.082472">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.50119" y3="2.25261" z3="-0.00426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.74472" y3="1.477365" z3="0.558165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.758839" y3="0.983605" z3="1.646987">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.643092" y3="1.870383" z3="1.348473">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421932" y3="2.096593" z3="0.263226">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.927716" y3="2.222477" z3="-1.167478">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.914399" y3="2.244397" z3="0.398184">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.705825" y3="0.530689" z3="-0.579355">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.183798" y3="1.719094" z3="2.788937">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.189305" y3="-0.636494" z3="-1.458182">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.62637" y3="-1.035776" z3="-1.210811">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.040119" y3="-1.853785" z3="-0.143737">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.608824" y3="-0.535074" z3="-2.087324">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.505804" y3="0.60917" z3="-1.239055">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.087011" y3="-2.431753" z3="0.87225">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.401608" y3="-2.158645" z3="0.006649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.955532" y3="-0.850136" z3="-1.937231">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.358862" y3="-1.672605" z3="-0.884395">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.324068" y3="-1.876114" z3="-1.782216">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.247947" y3="-2.532497" z3="-0.698822">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.820318" y3="-0.31382" z3="-0.524318">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.624236" y3="-4.464015" z3="0.57575">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.147902" y3="-4.280083" z3="1.302527">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.315887" y3="-4.018134" z3="-0.314782">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.589564" y3="3.336676" z3="-0.090666">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.52061" y3="2.141861" z3="0.937993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.969151" y3="3.268152" z3="-1.493251">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.593579" y3="1.664736" z3="-1.833883">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.344114" y3="2.84432" z3="-0.404995">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.199793" y3="2.653601" z3="1.358842">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.496111" y3="-1.4700" z3="-1.368825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.088928" y3="-0.293363" z3="-2.497143">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.298691" y3="0.102514" z3="-2.909389">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.115524" y3="-1.932212" z3="0.931488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.527538" y3="-2.422193" z3="1.8669">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.723965" y3="-2.773795" z3="0.837728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.683422" y3="-0.456785" z3="-2.638931">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.405452" y3="-1.923427" z3="-0.745672">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.417567" y3="-2.412685" z3="-2.726336">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.281719" y3="-1.940713" z3="-1.456319">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.25,1.5601,-1.5362;-4.7949,.5882,.3744;.802,.1448,2.5182;-1.4535,2.1677,3.7068;4.4344,1.4617,-.2425;-3.3095,1.1517,2.8935;-6.1625,-3.7792,-.6782;-6.9059,-1.7551,.0293;-.2482,1.8158,1.1728;2.3793,.471,-.2249;-5.6368,-.4777,-2.0388;-6.0097,1.6531,-1.8842;4.7712,-3.8914,.5924;-6.2374,-.0898,-3.1875;-6.4485,1.1816,-3.0825;.5012,2.2526,-.0043;1.7447,1.4774,.5582;.7588,.9836,1.647;-1.6431,1.8704,1.3485;-2.4219,2.0966,.2632;-1.9277,2.2225,-1.1675;-3.9144,2.2444,.3982;3.7058,.5307,-.5794;-2.1838,1.7191,2.7889;4.1893,-.6365,-1.4582;5.6264,-1.0358,-1.2108;6.0401,-1.8538,-.1437;6.6088,-.5351,-2.0873;-5.5058,.6092,-1.2391;5.087,-2.4318,.8722;7.4016,-2.1586,.0066;7.9555,-.8501,-1.9372;8.3589,-1.6726,-.8844;-5.3241,-1.8761,-1.7822;-6.2479,-2.5325,-.6988;1.8203,-.3138,-.5243;5.6242,-4.464,.5757;4.1479,-4.2801,1.3025;4.3159,-4.0181,-.3148;.5896,3.3367,-.0907;2.5206,2.1419,.938;-1.9692,3.2682,-1.4933;-2.5936,1.6647,-1.8339;-4.3441,2.8443,-.405;-4.1998,2.6536,1.3588;3.4961,-1.47,-1.3688;4.0889,-.2934,-2.4971;6.2987,.1025,-2.9094;4.1155,-1.9322,.9315;5.5275,-2.4222,1.8669;7.724,-2.7738,.8377;8.6834,-.4568,-2.6389;9.4055,-1.9234,-.7457;-5.4176,-2.4127,-2.7263;-4.2817,-1.9407,-1.4563;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1719651 0.0398755 0.0379481</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.308953" y3="1.385688" z3="-1.603739">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.873949" y3="0.598787" z3="0.376757">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.84028" y3="-0.145312" z3="2.396035">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.252363" y3="1.869174" z3="3.65963">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.369513" y3="1.320973" z3="-0.457922">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.244879" y3="1.061985" z3="2.955405">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.722677" y3="-3.590632" z3="-0.93167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.223114" y3="-1.585258" z3="0.012372">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.216124" y3="1.564658" z3="1.108014">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.395293" y3="0.215407" z3="-0.350195">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.913192" y3="-0.234757" z3="-2.048368">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.040535" y3="1.91961" z3="-1.769278">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="5.086877" y3="-3.762895" z3="0.858317">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.536298" y3="0.283854" z3="-3.130338">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.584555" y3="1.569044" z3="-2.958074">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.501804" y3="2.009038" z3="-0.078762">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.747174" y3="1.218228" z3="0.436747">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.785002" y3="0.713034" z3="1.546398">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.60403" y3="1.665813" z3="1.3284">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.408918" y3="1.951004" z3="0.276779">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.956832" y3="2.089143" z3="-1.161096">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.881569" y3="2.180555" z3="0.460832">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.700112" y3="0.332055" z3="-0.737062">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.074086" y3="1.502889" z3="2.787121">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.255482" y3="-0.850888" z3="-1.548262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.721344" y3="-1.099865" z3="-1.258656">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.183378" y3="-1.716473" z3="-0.076754">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.666535" y3="-0.627804" z3="-2.175992">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.640745" y3="0.783298" z3="-1.198945">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.236643" y3="-2.249722" z3="0.969361">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.566264" y3="-1.843021" z3="0.145016">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.03641" y3="-0.763682" z3="-1.9507">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.492193" y3="-1.374286" z3="-0.783753">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.747646" y3="-1.674334" z3="-1.896102">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.686986" y3="-2.342378" z3="-0.83061">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.877096" y3="-0.617742" z3="-0.596348">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.9819" y3="-4.231886" z3="1.018773">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.421631" y3="-4.117679" z3="1.553331">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.749066" y3="-4.051039" z3="-0.062287">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.61132" y3="3.0941" z3="-0.140615">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.520376" y3="1.896196" z3="0.808167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.980036" y3="3.142267" z3="-1.465028">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.666108" y3="1.559401" z3="-1.807811">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.302714" y3="2.848211" z3="-0.292573">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.097237" y3="2.566719" z3="1.452787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.630835" y3="-1.736888" z3="-1.398986">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.140138" y3="-0.598458" z3="-2.609078">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.321386" y3="-0.14219" z3="-3.08349">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.231696" y3="-1.844697" z3="0.874857">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.598034" y3="-2.06388" z3="1.983063">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.9210" y3="-2.299706" z3="1.064087">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.743581" y3="-0.382915" z3="-2.681339">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.555849" y3="-1.472118" z3="-0.59259">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.922628" y3="-2.111118" z3="-2.879071">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.710386" y3="-1.872719" z3="-1.607415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.309,1.3857,-1.6037;-4.8739,.5988,.3768;.8403,-.1453,2.396;-1.2524,1.8692,3.6596;4.3695,1.321,-.4579;-3.2449,1.062,2.9554;-6.7227,-3.5906,-.9317;-7.2231,-1.5853,.0124;-.2161,1.5647,1.108;2.3953,.2154,-.3502;-5.9132,-.2348,-2.0484;-6.0405,1.9196,-1.7693;5.0869,-3.7629,.8583;-6.5363,.2839,-3.1303;-6.5846,1.569,-2.9581;.5018,2.009,-.0788;1.7472,1.2182,.4367;.785,.713,1.5464;-1.604,1.6658,1.3284;-2.4089,1.951,.2768;-1.9568,2.0891,-1.1611;-3.8816,2.1806,.4608;3.7001,.3321,-.7371;-2.0741,1.5029,2.7871;4.2555,-.8509,-1.5483;5.7213,-1.0999,-1.2587;6.1834,-1.7165,-.0768;6.6665,-.6278,-2.176;-5.6407,.7833,-1.1989;5.2366,-2.2497,.9694;7.5663,-1.843,.145;8.0364,-.7637,-1.9507;8.4922,-1.3743,-.7838;-5.7476,-1.6743,-1.8961;-6.687,-2.3424,-.8306;1.8771,-.6177,-.5963;5.9819,-4.2319,1.0188;4.4216,-4.1177,1.5533;4.7491,-4.051,-.0623;.6113,3.0941,-.1406;2.5204,1.8962,.8082;-1.98,3.1423,-1.465;-2.6661,1.5594,-1.8078;-4.3027,2.8482,-.2926;-4.0972,2.5667,1.4528;3.6308,-1.7369,-1.399;4.1401,-.5985,-2.6091;6.3214,-.1422,-3.0835;4.2317,-1.8447,.8749;5.598,-2.0639,1.9831;7.921,-2.2997,1.0641;8.7436,-.3829,-2.6813;9.5558,-1.4721,-.5926;-5.9226,-2.1111,-2.8791;-4.7104,-1.8727,-1.6074;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1856135 0.0378900 0.0367172</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.300634" y3="1.462681" z3="-1.569483">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.825801" y3="0.571542" z3="0.397237">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.849314" y3="0.088997" z3="2.48848">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.297747" y3="2.112873" z3="3.66277">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.418246" y3="1.414168" z3="-0.36411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.223887" y3="1.14353" z3="2.972202">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.258435" y3="-3.747566" z3="-0.77682">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.002247" y3="-1.750338" z3="0.007914">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.223545" y3="1.739512" z3="1.134086">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.387569" y3="0.379716" z3="-0.298442">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.739168" y3="-0.383654" z3="-2.024003">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.053371" y3="1.755289" z3="-1.798706">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.848977" y3="-3.851553" z3="0.64692">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.36208" y3="0.055259" z3="-3.140727">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.527086" y3="1.334152" z3="-2.996467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.495495" y3="2.152718" z3="-0.067674">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746781" y3="1.394967" z3="0.483998">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.783899" y3="0.911091" z3="1.602085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.614431" y3="1.798125" z3="1.338047">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421947" y3="2.02924" z3="0.275816">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.958507" y3="2.160505" z3="-1.162674">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.904703" y3="2.201936" z3="0.44539">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.702571" y3="0.465887" z3="-0.668598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.088535" y3="1.665056" z3="2.800447">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.207891" y3="-0.708899" z3="-1.515946">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.658393" y3="-1.048774" z3="-1.236118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.063933" y3="-1.800779" z3="-0.113112">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.644209" y3="-0.569862" z3="-2.107503">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566789" y3="0.671152" z3="-1.196455">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.077277" y3="-2.362545" z3="0.880331">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.427858" y3="-2.044228" z3="0.105471">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.997312" y3="-0.827131" z3="-1.890299">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.394323" y3="-1.568211" z3="-0.777385">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.438968" y3="-1.794864" z3="-1.824622">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.344347" y3="-2.498523" z3="-0.753857">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.846389" y3="-0.424943" z3="-0.583773">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.722377" y3="-4.377578" z3="0.743629">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.180919" y3="-4.23604" z3="1.322076">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.48428" y3="-4.039846" z3="-0.291181">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.590196" y3="3.236499" z3="-0.165697">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.518918" y3="2.081779" z3="0.835283">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.981448" y3="3.210721" z3="-1.476696">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.65198" y3="1.623089" z3="-1.817634">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.338134" y3="2.822585" z3="-0.34099">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.15219" y3="2.609792" z3="1.420852">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.549567" y3="-1.574612" z3="-1.401297">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.111561" y3="-0.39754" z3="-2.561861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.342207" y3="0.013185" z3="-2.972358">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.093801" y3="-1.899148" z3="0.835301">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.446111" y3="-2.284535" z3="1.903594">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.735971" y3="-2.606412" z3="0.983399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.737661" y3="-0.444609" z3="-2.585954">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.44476" y3="-1.76779" z3="-0.59258">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.546129" y3="-2.279338" z3="-2.794978">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.395006" y3="-1.879937" z3="-1.507991">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3006,1.4627,-1.5695;-4.8258,.5715,.3972;.8493,.089,2.4885;-1.2977,2.1129,3.6628;4.4182,1.4142,-.3641;-3.2239,1.1435,2.9722;-6.2584,-3.7476,-.7768;-7.0022,-1.7503,.0079;-.2235,1.7395,1.1341;2.3876,.3797,-.2984;-5.7392,-.3837,-2.024;-6.0534,1.7553,-1.7987;4.849,-3.8516,.6469;-6.3621,.0553,-3.1407;-6.5271,1.3342,-2.9965;.4955,2.1527,-.0677;1.7468,1.395,.484;.7839,.9111,1.6021;-1.6144,1.7981,1.338;-2.4219,2.0292,.2758;-1.9585,2.1605,-1.1627;-3.9047,2.2019,.4454;3.7026,.4659,-.6686;-2.0885,1.6651,2.8004;4.2079,-.7089,-1.5159;5.6584,-1.0488,-1.2361;6.0639,-1.8008,-.1131;6.6442,-.5699,-2.1075;-5.5668,.6712,-1.1965;5.0773,-2.3625,.8803;7.4279,-2.0442,.1055;7.9973,-.8271,-1.8903;8.3943,-1.5682,-.7774;-5.439,-1.7949,-1.8246;-6.3443,-2.4985,-.7539;1.8464,-.4249,-.5838;5.7224,-4.3776,.7436;4.1809,-4.236,1.3221;4.4843,-4.0398,-.2912;.5902,3.2365,-.1657;2.5189,2.0818,.8353;-1.9814,3.2107,-1.4767;-2.652,1.6231,-1.8176;-4.3381,2.8226,-.341;-4.1522,2.6098,1.4209;3.5496,-1.5746,-1.4013;4.1116,-.3975,-2.5619;6.3422,.0132,-2.9724;4.0938,-1.8991,.8353;5.4461,-2.2845,1.9036;7.736,-2.6064,.9834;8.7377,-.4446,-2.586;9.4448,-1.7678,-.5926;-5.5461,-2.2793,-2.795;-4.395,-1.8799,-1.508;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1768306 0.0393448 0.0376529</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.284459" y3="1.448399" z3="-1.562305">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.829105" y3="0.548995" z3="0.37837">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.855399" y3="0.0789" z3="2.492245">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.297699" y3="2.128062" z3="3.659802">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.439176" y3="1.412533" z3="-0.361879">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.230657" y3="1.159243" z3="2.983084">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.224231" y3="-3.745552" z3="-0.786621">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.950364" y3="-1.742872" z3="0.01393">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.215325" y3="1.725252" z3="1.138806">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.406196" y3="0.383101" z3="-0.277776">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.758413" y3="-0.382651" z3="-2.043381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.081535" y3="1.757373" z3="-1.781471">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.823676" y3="-3.812271" z3="0.648295">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.400967" y3="0.072805" z3="-3.134558">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.57659" y3="1.351101" z3="-2.973848">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.507861" y3="2.140626" z3="-0.057229">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.762405" y3="1.390495" z3="0.497801">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.794202" y3="0.894422" z3="1.601931">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.605366" y3="1.78574" z3="1.344482">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.412389" y3="2.015368" z3="0.278975">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.94551" y3="2.141013" z3="-1.156381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.896404" y3="2.181086" z3="0.45061">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.71779" y3="0.462207" z3="-0.655011">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.087706" y3="1.667161" z3="2.807243">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.204493" y3="-0.717857" z3="-1.512669">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.656543" y3="-1.051536" z3="-1.247417">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.059561" y3="-1.79191" z3="-0.122686">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.642599" y3="-0.582579" z3="-2.12332">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.582709" y3="0.666599" z3="-1.20521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.060905" y3="-2.33154" z3="0.865801">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.424959" y3="-2.044057" z3="0.109297">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.995152" y3="-0.849264" z3="-1.902229">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.393436" y3="-1.580988" z3="-0.780498">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.435033" y3="-1.791221" z3="-1.855899">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.310615" y3="-2.498419" z3="-0.758813">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.863893" y3="-0.422469" z3="-0.560654">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.699896" y3="-4.322018" z3="0.756278">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.154167" y3="-4.175873" z3="1.337689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.464002" y3="-4.0133" z3="-0.28695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.595545" y3="3.224709" z3="-0.151364">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.531472" y3="2.082805" z3="0.851538">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.974837" y3="3.189419" z3="-1.473768">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.636584" y3="1.596603" z3="-1.80948">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.325325" y3="2.799609" z3="-0.337638">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.142628" y3="2.592204" z3="1.424837">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.538481" y3="-1.578628" z3="-1.376907">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.089083" y3="-0.417546" z3="-2.559327">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.344934" y3="-0.005022" z3="-2.992945">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.086689" y3="-1.856594" z3="0.813323">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.425143" y3="-2.259975" z3="1.888728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.722026" y3="-2.594125" z3="1.002769">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.736216" y3="-0.477365" z3="-2.603038">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.443978" y3="-1.777878" z3="-0.594139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.559737" y3="-2.269686" z3="-2.826562">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.384041" y3="-1.865844" z3="-1.564522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2845,1.4484,-1.5623;-4.8291,.549,.3784;.8554,.0789,2.4922;-1.2977,2.1281,3.6598;4.4392,1.4125,-.3619;-3.2307,1.1592,2.9831;-6.2242,-3.7456,-.7866;-6.9504,-1.7429,.0139;-.2153,1.7253,1.1388;2.4062,.3831,-.2778;-5.7584,-.3827,-2.0434;-6.0815,1.7574,-1.7815;4.8237,-3.8123,.6483;-6.401,.0728,-3.1346;-6.5766,1.3511,-2.9738;.5079,2.1406,-.0572;1.7624,1.3905,.4978;.7942,.8944,1.6019;-1.6054,1.7857,1.3445;-2.4124,2.0154,.279;-1.9455,2.141,-1.1564;-3.8964,2.1811,.4506;3.7178,.4622,-.655;-2.0877,1.6672,2.8072;4.2045,-.7179,-1.5127;5.6565,-1.0515,-1.2474;6.0596,-1.7919,-.1227;6.6426,-.5826,-2.1233;-5.5827,.6666,-1.2052;5.0609,-2.3315,.8658;7.425,-2.0441,.1093;7.9952,-.8493,-1.9022;8.3934,-1.581,-.7805;-5.435,-1.7912,-1.8559;-6.3106,-2.4984,-.7588;1.8639,-.4225,-.5607;5.6999,-4.322,.7563;4.1542,-4.1759,1.3377;4.464,-4.0133,-.2869;.5955,3.2247,-.1514;2.5315,2.0828,.8515;-1.9748,3.1894,-1.4738;-2.6366,1.5966,-1.8095;-4.3253,2.7996,-.3376;-4.1426,2.5922,1.4248;3.5385,-1.5786,-1.3769;4.0891,-.4175,-2.5593;6.3449,-.005,-2.9929;4.0867,-1.8566,.8133;5.4251,-2.26,1.8887;7.722,-2.5941,1.0028;8.7362,-.4774,-2.603;9.444,-1.7779,-.5941;-5.5597,-2.2697,-2.8266;-4.384,-1.8658,-1.5645;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1775113 0.0393785 0.0376564</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.302936" y3="1.446138" z3="-1.566096">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.815687" y3="0.513397" z3="0.429159">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.860257" y3="0.141864" z3="2.497275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.244802" y3="2.113064" z3="3.663126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.45593" y3="1.451407" z3="-0.379196">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.174093" y3="1.108621" z3="3.011648">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.338742" y3="-3.743758" z3="-0.881225">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.022275" y3="-1.774565" z3="-0.045399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.217906" y3="1.744415" z3="1.136101">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.406299" y3="0.400591" z3="-0.290597">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.74872" y3="-0.365659" z3="-2.034744">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.027983" y3="1.778766" z3="-1.752902">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.822612" y3="-3.821742" z3="0.712568">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.366455" y3="0.11629" z3="-3.136545">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.516808" y3="1.393836" z3="-2.957785">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.483808" y3="2.156469" z3="-0.070522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.743867" y3="1.423123" z3="0.486374">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.790802" y3="0.941763" z3="1.610204">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.599739" y3="1.782359" z3="1.341549">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.414146" y3="1.992287" z3="0.28392">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.972702" y3="2.121589" z3="-1.163585">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.88541" y3="2.136347" z3="0.462078">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.736073" y3="0.505444" z3="-0.665584">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.050612" y3="1.649394" z3="2.813309">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.21978" y3="-0.684577" z3="-1.503713">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.663543" y3="-1.042816" z3="-1.24316">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.070557" y3="-1.790121" z3="-0.118213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.640192" y3="-0.590181" z3="-2.127992">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.556101" y3="0.669696" z3="-1.169932">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.091378" y3="-2.328082" z3="0.901765">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.440037" y3="-2.048576" z3="0.081121">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.995038" y3="-0.862829" z3="-1.92897">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.399379" y3="-1.597303" z3="-0.814537">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.474447" y3="-1.795572" z3="-1.879832">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.390701" y3="-2.507219" z3="-0.826499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.875363" y3="-0.414386" z3="-0.56474">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.682245" y3="-4.365312" z3="0.799814">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.168173" y3="-4.170396" z3="1.42041">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.429073" y3="-4.035548" z3="-0.205925">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.56096" y3="3.24051" z3="-0.181114">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.500866" y3="2.124009" z3="0.829167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.014932" y3="3.167021" z3="-1.486372">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.659927" y3="1.569783" z3="-1.811881">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333894" y3="2.746192" z3="-0.329545">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.129844" y3="2.546808" z3="1.43373">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.558769" y3="-1.540632" z3="-1.368089">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.108309" y3="-0.388033" z3="-2.550618">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.331916" y3="-0.014722" z3="-2.996132">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.114877" y3="-1.8531" z3="0.875252">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.488423" y3="-2.242479" z3="1.916924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.75641" y3="-2.606065" z3="0.961633">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.730472" y3="-0.498783" z3="-2.639258">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.449984" y3="-1.806986" z3="-0.641119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.592034" y3="-2.24799" z3="-2.863515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.432844" y3="-1.906961" z3="-1.56245">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3029,1.4461,-1.5661;-4.8157,.5134,.4292;.8603,.1419,2.4973;-1.2448,2.1131,3.6631;4.4559,1.4514,-.3792;-3.1741,1.1086,3.0116;-6.3387,-3.7438,-.8812;-7.0223,-1.7746,-.0454;-.2179,1.7444,1.1361;2.4063,.4006,-.2906;-5.7487,-.3657,-2.0347;-6.028,1.7788,-1.7529;4.8226,-3.8217,.7126;-6.3665,.1163,-3.1365;-6.5168,1.3938,-2.9578;.4838,2.1565,-.0705;1.7439,1.4231,.4864;.7908,.9418,1.6102;-1.5997,1.7824,1.3415;-2.4141,1.9923,.2839;-1.9727,2.1216,-1.1636;-3.8854,2.1363,.4621;3.7361,.5054,-.6656;-2.0506,1.6494,2.8133;4.2198,-.6846,-1.5037;5.6635,-1.0428,-1.2432;6.0706,-1.7901,-.1182;6.6402,-.5902,-2.128;-5.5561,.6697,-1.1699;5.0914,-2.3281,.9018;7.44,-2.0486,.0811;7.995,-.8628,-1.929;8.3994,-1.5973,-.8145;-5.4744,-1.7956,-1.8798;-6.3907,-2.5072,-.8265;1.8754,-.4144,-.5647;5.6822,-4.3653,.7998;4.1682,-4.1704,1.4204;4.4291,-4.0355,-.2059;.561,3.2405,-.1811;2.5009,2.124,.8292;-2.0149,3.167,-1.4864;-2.6599,1.5698,-1.8119;-4.3339,2.7462,-.3295;-4.1298,2.5468,1.4337;3.5588,-1.5406,-1.3681;4.1083,-.388,-2.5506;6.3319,-.0147,-2.9961;4.1149,-1.8531,.8753;5.4884,-2.2425,1.9169;7.7564,-2.6061,.9616;8.7305,-.4988,-2.6393;9.45,-1.807,-.6411;-5.592,-2.248,-2.8635;-4.4328,-1.907,-1.5624;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1763330 0.0392815 0.0375562</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.31951" y3="1.460229" z3="-1.573016">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.812269" y3="0.536372" z3="0.448471">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.854272" y3="0.152835" z3="2.493792">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.243856" y3="2.098898" z3="3.66575">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.434576" y3="1.453039" z3="-0.381606">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.166358" y3="1.093634" z3="3.000753">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.369411" y3="-3.745042" z3="-0.872616">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.072491" y3="-1.78092" z3="-0.053666">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.226124" y3="1.759118" z3="1.13148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.387378" y3="0.397045" z3="-0.310998">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.728618" y3="-0.367322" z3="-2.015339">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-5.999879" y3="1.775982" z3="-1.770098">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.847743" y3="-3.861787" z3="0.711274">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.326743" y3="0.097384" z3="-3.1427">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.467223" y3="1.375457" z3="-2.980275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.471241" y3="2.168674" z3="-0.08095">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.728128" y3="1.42775" z3="0.472663">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.780598" y3="0.95906" z3="1.610382">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.608754" y3="1.795118" z3="1.335396">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.423789" y3="2.006325" z3="0.281087">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.986113" y3="2.141015" z3="-1.169576">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.893899" y3="2.157246" z3="0.457318">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.720356" y3="0.508993" z3="-0.679012">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.050911" y3="1.648048" z3="2.806662">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.222425" y3="-0.675906" z3="-1.506678">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.664657" y3="-1.040136" z3="-1.231767">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.074267" y3="-1.798961" z3="-0.108559">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.641089" y3="-0.577555" z3="-2.112269">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.540011" y3="0.674024" z3="-1.161059">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.107375" y3="-2.359297" z3="0.916189">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.442074" y3="-2.048367" z3="0.077413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.996494" y3="-0.840602" z3="-1.917164">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.39951" y3="-1.584242" z3="-0.811467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.476698" y3="-1.799213" z3="-1.848959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.421747" y3="-2.506538" z3="-0.82275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.857471" y3="-0.417068" z3="-0.587345">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.703982" y3="-4.420997" z3="0.787496">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.194238" y3="-4.231344" z3="1.405191">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.449426" y3="-4.063342" z3="-0.210117">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.555343" y3="3.252398" z3="-0.195703">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.488279" y3="2.123252" z3="0.81281">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.022088" y3="3.188271" z3="-1.489262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.675875" y3="1.596001" z3="-1.819529">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.346949" y3="2.769029" z3="-0.332481">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.139452" y3="2.564601" z3="1.43018">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.569216" y3="-1.536944" z3="-1.391771">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.13001" y3="-0.368684" z3="-2.552914">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.328478" y3="0.003283" z3="-2.975666">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.121673" y3="-1.896194" z3="0.897328">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.508937" y3="-2.266806" z3="1.931448">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.769199" y3="-2.61771" z3="0.942091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.731295" y3="-0.465953" z3="-2.622406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.449995" y3="-1.79651" z3="-0.639695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.576167" y3="-2.258309" z3="-2.832116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.44314" y3="-1.920546" z3="-1.506305">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3195,1.4602,-1.573;-4.8123,.5364,.4485;.8543,.1528,2.4938;-1.2439,2.0989,3.6658;4.4346,1.453,-.3816;-3.1664,1.0936,3.0008;-6.3694,-3.745,-.8726;-7.0725,-1.7809,-.0537;-.2261,1.7591,1.1315;2.3874,.397,-.311;-5.7286,-.3673,-2.0153;-5.9999,1.776,-1.7701;4.8477,-3.8618,.7113;-6.3267,.0974,-3.1427;-6.4672,1.3755,-2.9803;.4712,2.1687,-.0809;1.7281,1.4278,.4727;.7806,.9591,1.6104;-1.6088,1.7951,1.3354;-2.4238,2.0063,.2811;-1.9861,2.141,-1.1696;-3.8939,2.1572,.4573;3.7204,.509,-.679;-2.0509,1.648,2.8067;4.2224,-.6759,-1.5067;5.6647,-1.0401,-1.2318;6.0743,-1.799,-.1086;6.6411,-.5776,-2.1123;-5.54,.674,-1.1611;5.1074,-2.3593,.9162;7.4421,-2.0484,.0774;7.9965,-.8406,-1.9172;8.3995,-1.5842,-.8115;-5.4767,-1.7992,-1.849;-6.4217,-2.5065,-.8227;1.8575,-.4171,-.5873;5.704,-4.421,.7875;4.1942,-4.2313,1.4052;4.4494,-4.0633,-.2101;.5553,3.2524,-.1957;2.4883,2.1233,.8128;-2.0221,3.1883,-1.4893;-2.6759,1.596,-1.8195;-4.3469,2.769,-.3325;-4.1395,2.5646,1.4302;3.5692,-1.5369,-1.3918;4.13,-.3687,-2.5529;6.3285,.0033,-2.9757;4.1217,-1.8962,.8973;5.5089,-2.2668,1.9314;7.7692,-2.6177,.9421;8.7313,-.466,-2.6224;9.45,-1.7965,-.6397;-5.5762,-2.2583,-2.8321;-4.4431,-1.9205,-1.5063;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1756679 0.0392576 0.0375589</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.300633" y3="1.462605" z3="-1.569595">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.825824" y3="0.571476" z3="0.397074">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.849233" y3="0.089177" z3="2.488474">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.29786" y3="2.113029" z3="3.662603">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.418235" y3="1.414244" z3="-0.364091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.223964" y3="1.143602" z3="2.972043">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.258446" y3="-3.747688" z3="-0.776911">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.002282" y3="-1.750453" z3="0.007729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.223616" y3="1.739583" z3="1.133964">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.387561" y3="0.379753" z3="-0.298429">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.739111" y3="-0.383817" z3="-2.024174">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.053322" y3="1.755136" z3="-1.798977">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.849001" y3="-3.851454" z3="0.64726">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.361981" y3="0.05505" z3="-3.140945">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.526993" y3="1.333948" z3="-2.996739">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.495438" y3="2.152738" z3="-0.067802">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746723" y3="1.395044" z3="0.483944">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.783826" y3="0.911217" z3="1.60204">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.614504" y3="1.798171" z3="1.337882">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421997" y3="2.02921" z3="0.275621">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.958534" y3="2.160414" z3="-1.16287">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.904753" y3="2.201879" z3="0.445149">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.702584" y3="0.465941" z3="-0.668549">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.088627" y3="1.665157" z3="2.800281">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.207943" y3="-0.708886" z3="-1.515813">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.658436" y3="-1.048742" z3="-1.235931">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.063957" y3="-1.800691" z3="-0.112876">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.644265" y3="-0.569869" z3="-2.107316">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566759" y3="0.671023" z3="-1.196654">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.077294" y3="-2.362422" z3="0.880587">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.427883" y3="-2.044114" z3="0.105737">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.997366" y3="-0.827112" z3="-1.890075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.39436" y3="-1.568134" z3="-0.777119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.438928" y3="-1.795027" z3="-1.824738">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.344354" y3="-2.498651" z3="-0.753993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.846407" y3="-0.424934" z3="-0.583731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.722395" y3="-4.377484" z3="0.744005">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.180937" y3="-4.235908" z3="1.322427">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.484311" y3="-4.039807" z3="-0.290833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.590121" y3="3.236516" z3="-0.165886">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.518832" y3="2.081889" z3="0.835211">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.98149" y3="3.210613" z3="-1.476947">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.651978" y3="1.622952" z3="-1.81782">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.338182" y3="2.822478" z3="-0.341277">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.152272" y3="2.609778" z3="1.420582">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.549631" y3="-1.574599" z3="-1.401141">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.111641" y3="-0.397581" z3="-2.561746">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.342272" y3="0.01313" z3="-2.972208">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.09381" y3="-1.899041" z3="0.835523">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.446118" y3="-2.284348" z3="1.903851">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.73599" y3="-2.606256" z3="0.983692">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.737727" y3="-0.444619" z3="-2.585734">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.444795" y3="-1.767698" z3="-0.592282">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.54605" y3="-2.279533" z3="-2.795082">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.39498" y3="-1.880094" z3="-1.508055">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3006,1.4626,-1.5696;-4.8258,.5715,.3971;.8492,.0892,2.4885;-1.2979,2.113,3.6626;4.4182,1.4142,-.3641;-3.224,1.1436,2.972;-6.2584,-3.7477,-.7769;-7.0023,-1.7505,.0077;-.2236,1.7396,1.134;2.3876,.3798,-.2984;-5.7391,-.3838,-2.0242;-6.0533,1.7551,-1.799;4.849,-3.8515,.6473;-6.362,.0551,-3.1409;-6.527,1.3339,-2.9967;.4954,2.1527,-.0678;1.7467,1.395,.4839;.7838,.9112,1.602;-1.6145,1.7982,1.3379;-2.422,2.0292,.2756;-1.9585,2.1604,-1.1629;-3.9048,2.2019,.4451;3.7026,.4659,-.6685;-2.0886,1.6652,2.8003;4.2079,-.7089,-1.5158;5.6584,-1.0487,-1.2359;6.064,-1.8007,-.1129;6.6443,-.5699,-2.1073;-5.5668,.671,-1.1967;5.0773,-2.3624,.8806;7.4279,-2.0441,.1057;7.9974,-.8271,-1.8901;8.3944,-1.5681,-.7771;-5.4389,-1.795,-1.8247;-6.3444,-2.4987,-.754;1.8464,-.4249,-.5837;5.7224,-4.3775,.744;4.1809,-4.2359,1.3224;4.4843,-4.0398,-.2908;.5901,3.2365,-.1659;2.5188,2.0819,.8352;-1.9815,3.2106,-1.4769;-2.652,1.623,-1.8178;-4.3382,2.8225,-.3413;-4.1523,2.6098,1.4206;3.5496,-1.5746,-1.4011;4.1116,-.3976,-2.5617;6.3423,.0131,-2.9722;4.0938,-1.899,.8355;5.4461,-2.2843,1.9039;7.736,-2.6063,.9837;8.7377,-.4446,-2.5857;9.4448,-1.7677,-.5923;-5.5461,-2.2795,-2.7951;-4.395,-1.8801,-1.5081;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1768298 0.0393448 0.0376528</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.314769" y3="1.445991" z3="-1.560381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.807736" y3="0.55281" z3="0.402961">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.887188" y3="0.106814" z3="2.509366">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.280734" y3="2.154881" z3="3.67983">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.416347" y3="1.420348" z3="-0.389697">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.205738" y3="1.171894" z3="2.998404">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.167293" y3="-3.771745" z3="-0.844497">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.917685" y3="-1.802127" z3="0.010956">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.21697" y3="1.744302" z3="1.144846">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391956" y3="0.384735" z3="-0.304391">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.729132" y3="-0.370488" z3="-2.031127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.069687" y3="1.756087" z3="-1.762158">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.816538" y3="-3.838031" z3="0.656264">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.382592" y3="0.069449" z3="-3.131824">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.562462" y3="1.34069" z3="-2.956518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.487815" y3="2.15478" z3="-0.070085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.748774" y3="1.406457" z3="0.478988">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.798474" y3="0.922989" z3="1.610792">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.608293" y3="1.804737" z3="1.355427">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421853" y3="2.023532" z3="0.294335">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.973347" y3="2.137829" z3="-1.147516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.905137" y3="2.188316" z3="0.472994">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.705254" y3="0.472115" z3="-0.690108">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.07127" y3="1.693653" z3="2.824644">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.204379" y3="-0.713058" z3="-1.534687">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.656453" y3="-1.053032" z3="-1.255619">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.05142" y3="-1.794549" z3="-0.113036">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.650798" y3="-0.591458" z3="-2.127172">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.55688" y3="0.671639" z3="-1.186314">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.049004" y3="-2.33912" z3="0.874735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.40487" y3="-2.038825" z3="0.117397">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.997262" y3="-0.856648" z3="-1.894404">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.377142" y3="-1.581105" z3="-0.765524">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.407537" y3="-1.78069" z3="-1.869373">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.270919" y3="-2.520933" z3="-0.789629">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.853123" y3="-0.425683" z3="-0.573603">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.689861" y3="-4.370133" z3="0.75722">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.153865" y3="-4.216631" z3="1.331932">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.455945" y3="-4.055228" z3="-0.280238">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.567591" y3="3.239377" z3="-0.180602">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.513177" y3="2.10299" z3="0.820087">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.004227" y3="3.183561" z3="-1.477358">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.670735" y3="1.588257" z3="-1.789223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.344338" y3="2.799758" z3="-0.318853">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.166043" y3="2.606233" z3="1.44208">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.546093" y3="-1.57023" z3="-1.396054">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.090933" y3="-0.417757" z3="-2.583139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.357662" y3="-0.022663" z3="-3.006073">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.062134" y3="-1.870541" z3="0.824195">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.414713" y3="-2.258118" z3="1.907135">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.711435" y3="-2.583116" z3="1.002849">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.748206" y3="-0.495367" z3="-2.589875">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.425612" y3="-1.778015" z3="-0.565035">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.533034" y3="-2.245957" z3="-2.848499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.353962" y3="-1.846183" z3="-1.575481">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3148,1.446,-1.5604;-4.8077,.5528,.403;.8872,.1068,2.5094;-1.2807,2.1549,3.6798;4.4163,1.4203,-.3897;-3.2057,1.1719,2.9984;-6.1673,-3.7717,-.8445;-6.9177,-1.8021,.011;-.217,1.7443,1.1448;2.392,.3847,-.3044;-5.7291,-.3705,-2.0311;-6.0697,1.7561,-1.7622;4.8165,-3.838,.6563;-6.3826,.0694,-3.1318;-6.5625,1.3407,-2.9565;.4878,2.1548,-.0701;1.7488,1.4065,.479;.7985,.923,1.6108;-1.6083,1.8047,1.3554;-2.4219,2.0235,.2943;-1.9733,2.1378,-1.1475;-3.9051,2.1883,.473;3.7053,.4721,-.6901;-2.0713,1.6937,2.8246;4.2044,-.7131,-1.5347;5.6565,-1.053,-1.2556;6.0514,-1.7945,-.113;6.6508,-.5915,-2.1272;-5.5569,.6716,-1.1863;5.049,-2.3391,.8747;7.4049,-2.0388,.1174;7.9973,-.8566,-1.8944;8.3771,-1.5811,-.7655;-5.4075,-1.7807,-1.8694;-6.2709,-2.5209,-.7896;1.8531,-.4257,-.5736;5.6899,-4.3701,.7572;4.1539,-4.2166,1.3319;4.4559,-4.0552,-.2802;.5676,3.2394,-.1806;2.5132,2.103,.8201;-2.0042,3.1836,-1.4774;-2.6707,1.5883,-1.7892;-4.3443,2.7998,-.3189;-4.166,2.6062,1.4421;3.5461,-1.5702,-1.3961;4.0909,-.4178,-2.5831;6.3577,-.0227,-3.0061;4.0621,-1.8705,.8242;5.4147,-2.2581,1.9071;7.7114,-2.5831,1.0028;8.7482,-.4954,-2.5899;9.4256,-1.778,-.565;-5.533,-2.246,-2.8485;-4.354,-1.8462,-1.5755;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1758143 0.0395718 0.0377592</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.262602" y3="1.455977" z3="-1.542053">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.79997" y3="0.560459" z3="0.346693">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.815849" y3="0.033762" z3="2.531248">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.316284" y3="2.039946" z3="3.688074">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.402938" y3="1.410735" z3="-0.360004">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.261334" y3="1.138907" z3="2.960183">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.430957" y3="-3.712783" z3="-0.824928">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.038797" y3="-1.684236" z3="-0.002963">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.226355" y3="1.696691" z3="1.164901">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.39731" y3="0.335157" z3="-0.239151">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.749831" y3="-0.379024" z3="-2.061983">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.027452" y3="1.770382" z3="-1.838866">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.887663" y3="-3.79217" z3="0.723477">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.37146" y3="0.070045" z3="-3.176371">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.514254" y3="1.352046" z3="-3.031517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.516152" y3="2.11744" z3="-0.020801">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.748902" y3="1.343549" z3="0.547239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.765174" y3="0.858997" z3="1.645954">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.617329" y3="1.776112" z3="1.353185">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.407798" y3="2.028799" z3="0.280802">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.922145" y3="2.160488" z3="-1.151883">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.894056" y3="2.199373" z3="0.424725">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.698771" y3="0.448246" z3="-0.644311">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.108482" y3="1.629735" z3="2.809451">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.199315" y3="-0.712743" z3="-1.508351">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.65772" y3="-1.05362" z3="-1.257704">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.090006" y3="-1.761407" z3="-0.117661">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.623221" y3="-0.600326" z3="-2.165728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.552065" y3="0.677085" z3="-1.240648">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.124068" y3="-2.294788" z3="0.910491">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.456698" y3="-2.004889" z3="0.073744">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.980286" y3="-0.854171" z3="-1.973317">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.402225" y3="-1.559828" z3="-0.845587">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.499274" y3="-1.79882" z3="-1.851488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.433052" y3="-2.461395" z3="-0.780216">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.859655" y3="-0.465997" z3="-0.539213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.762919" y3="-4.319884" z3="0.80343">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.233942" y3="-4.158016" z3="1.422423">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.497854" y3="-3.994859" z3="-0.203238">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.624187" y3="3.201654" z3="-0.103499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.517535" y3="2.023633" z3="0.917069">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.934684" y3="3.211026" z3="-1.46499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.610679" y3="1.627501" z3="-1.815909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.311614" y3="2.831915" z3="-0.36064">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.147975" y3="2.590518" z3="1.404964">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.5471" y3="-1.586866" z3="-1.413747">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.097019" y3="-0.379081" z3="-2.546633">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.301677" y3="-0.043587" z3="-3.041229">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.139828" y3="-1.831863" z3="0.883119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.52334" y3="-2.197609" z3="1.922436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.78331" y3="-2.540575" z3="0.959453">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.703272" y3="-0.504086" z3="-2.703303">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.456192" y3="-1.7578" z3="-0.679708">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.62535" y3="-2.281294" z3="-2.820586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.458676" y3="-1.921671" z3="-1.535493">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2626,1.456,-1.5421;-4.8,.5605,.3467;.8158,.0338,2.5312;-1.3163,2.0399,3.6881;4.4029,1.4107,-.36;-3.2613,1.1389,2.9602;-6.431,-3.7128,-.8249;-7.0388,-1.6842,-.003;-.2264,1.6967,1.1649;2.3973,.3352,-.2392;-5.7498,-.379,-2.062;-6.0275,1.7704,-1.8389;4.8877,-3.7922,.7235;-6.3715,.07,-3.1764;-6.5143,1.352,-3.0315;.5162,2.1174,-.0208;1.7489,1.3435,.5472;.7652,.859,1.646;-1.6173,1.7761,1.3532;-2.4078,2.0288,.2808;-1.9221,2.1605,-1.1519;-3.8941,2.1994,.4247;3.6988,.4482,-.6443;-2.1085,1.6297,2.8095;4.1993,-.7127,-1.5084;5.6577,-1.0536,-1.2577;6.09,-1.7614,-.1177;6.6232,-.6003,-2.1657;-5.5521,.6771,-1.2406;5.1241,-2.2948,.9105;7.4567,-2.0049,.0737;7.9803,-.8542,-1.9733;8.4022,-1.5598,-.8456;-5.4993,-1.7988,-1.8515;-6.4331,-2.4614,-.7802;1.8597,-.466,-.5392;5.7629,-4.3199,.8034;4.2339,-4.158,1.4224;4.4979,-3.9949,-.2032;.6242,3.2017,-.1035;2.5175,2.0236,.9171;-1.9347,3.211,-1.465;-2.6107,1.6275,-1.8159;-4.3116,2.8319,-.3606;-4.148,2.5905,1.405;3.5471,-1.5869,-1.4137;4.097,-.3791,-2.5466;6.3017,-.0436,-3.0412;4.1398,-1.8319,.8831;5.5233,-2.1976,1.9224;7.7833,-2.5406,.9595;8.7033,-.5041,-2.7033;9.4562,-1.7578,-.6797;-5.6254,-2.2813,-2.8206;-4.4587,-1.9217,-1.5355;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1773320 0.0391394 0.0375047</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.29977" y3="1.462411" z3="-1.56907">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.825309" y3="0.571194" z3="0.395742">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.848413" y3="0.088026" z3="2.489433">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.298441" y3="2.111549" z3="3.663044">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.417902" y3="1.41421" z3="-0.363942">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.224957" y3="1.143591" z3="2.97161">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.262186" y3="-3.74713" z3="-0.778023">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.003094" y3="-1.749061" z3="0.00735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.223744" y3="1.73867" z3="1.134567">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.387777" y3="0.378796" z3="-0.297068">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.739323" y3="-0.383872" z3="-2.025203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.052781" y3="1.75532" z3="-1.800137">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.84985" y3="-3.850061" z3="0.649161">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.362153" y3="0.055164" z3="-3.141947">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.526706" y3="1.334138" z3="-2.997781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.495874" y3="2.151966" z3="-0.066836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746746" y3="1.393943" z3="0.48534">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.78335" y3="0.910113" z3="1.602988">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.61465" y3="1.797718" z3="1.338094">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421739" y3="2.029196" z3="0.275566">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.957727" y3="2.160365" z3="-1.162783">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.904593" y3="2.201812" z3="0.444475">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.702512" y3="0.46557" z3="-0.667941">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.08921" y3="1.664464" z3="2.800346">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.207809" y3="-0.708964" z3="-1.515543">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.658485" y3="-1.048805" z3="-1.236253">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.064559" y3="-1.799745" z3="-0.112762">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.643904" y3="-0.5705" z3="-2.108441">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566456" y3="0.671037" z3="-1.197862">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.078305" y3="-2.360832" z3="0.881449">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.428544" y3="-2.043148" z3="0.105314">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.997092" y3="-0.827647" z3="-1.891688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.394598" y3="-1.567858" z3="-0.778348">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.440201" y3="-1.79527" z3="-1.825452">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.346274" y3="-2.49797" z3="-0.754672">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.846719" y3="-0.42583" z3="-0.582692">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.723302" y3="-4.376095" z3="0.745588">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.182071" y3="-4.2341" z3="1.324843">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.484651" y3="-4.038754" z3="-0.288704">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.590847" y3="3.235755" z3="-0.164609">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.518768" y3="2.080661" z3="0.837024">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.980453" y3="3.210561" z3="-1.476877">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.651038" y3="1.62297" z3="-1.817939">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.337645" y3="2.822647" z3="-0.341965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.152289" y3="2.609374" z3="1.419998">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.549641" y3="-1.574881" z3="-1.401304">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.111396" y3="-0.397192" z3="-2.561323">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.341512" y3="0.011897" z3="-2.973608">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.0948" y3="-1.897471" z3="0.836717">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.447755" y3="-2.282309" z3="1.90449">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.737023" y3="-2.604675" z3="0.983487">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.737102" y3="-0.445873" z3="-2.588109">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.445111" y3="-1.767365" z3="-0.593886">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.547716" y3="-2.279784" z3="-2.79575">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.396314" y3="-1.881135" z3="-1.50877">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2998,1.4624,-1.5691;-4.8253,.5712,.3957;.8484,.088,2.4894;-1.2984,2.1115,3.663;4.4179,1.4142,-.3639;-3.225,1.1436,2.9716;-6.2622,-3.7471,-.778;-7.0031,-1.7491,.0073;-.2237,1.7387,1.1346;2.3878,.3788,-.2971;-5.7393,-.3839,-2.0252;-6.0528,1.7553,-1.8001;4.8498,-3.8501,.6492;-6.3622,.0552,-3.1419;-6.5267,1.3341,-2.9978;.4959,2.152,-.0668;1.7467,1.3939,.4853;.7833,.9101,1.603;-1.6146,1.7977,1.3381;-2.4217,2.0292,.2756;-1.9577,2.1604,-1.1628;-3.9046,2.2018,.4445;3.7025,.4656,-.6679;-2.0892,1.6645,2.8003;4.2078,-.709,-1.5155;5.6585,-1.0488,-1.2363;6.0646,-1.7997,-.1128;6.6439,-.5705,-2.1084;-5.5665,.671,-1.1979;5.0783,-2.3608,.8814;7.4285,-2.0431,.1053;7.9971,-.8276,-1.8917;8.3946,-1.5679,-.7783;-5.4402,-1.7953,-1.8255;-6.3463,-2.498,-.7547;1.8467,-.4258,-.5827;5.7233,-4.3761,.7456;4.1821,-4.2341,1.3248;4.4847,-4.0388,-.2887;.5908,3.2358,-.1646;2.5188,2.0807,.837;-1.9805,3.2106,-1.4769;-2.651,1.623,-1.8179;-4.3376,2.8226,-.342;-4.1523,2.6094,1.42;3.5496,-1.5749,-1.4013;4.1114,-.3972,-2.5613;6.3415,.0119,-2.9736;4.0948,-1.8975,.8367;5.4478,-2.2823,1.9045;7.737,-2.6047,.9835;8.7371,-.4459,-2.5881;9.4451,-1.7674,-.5939;-5.5477,-2.2798,-2.7957;-4.3963,-1.8811,-1.5088;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1768408 0.0393399 0.0376495</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.340348" y3="1.41368" z3="-1.595622">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.856325" y3="0.608951" z3="0.394149">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.844971" y3="0.022865" z3="2.446664">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.341484" y3="2.07399" z3="3.671934">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.403645" y3="1.38845" z3="-0.373785">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.266379" y3="1.128921" z3="2.932216">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.375787" y3="-3.691986" z3="-0.768691">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.086101" y3="-1.67694" z3="0.015804">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.234927" y3="1.686792" z3="1.107251">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.370759" y3="0.318771" z3="-0.326629">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.812276" y3="-0.330935" z3="-2.01625">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.078722" y3="1.812603" z3="-1.791891">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.974479" y3="-3.867612" z3="0.686127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.436974" y3="0.120437" z3="-3.125941">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.567653" y3="1.400235" z3="-2.989822">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.482898" y3="2.087194" z3="-0.100554">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.734921" y3="1.323707" z3="0.448659">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.77454" y3="0.846486" z3="1.563282">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.621233" y3="1.759781" z3="1.325796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.434899" y3="2.008677" z3="0.264849">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.983168" y3="2.137814" z3="-1.171992">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.906813" y3="2.220546" z3="0.451945">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.696499" y3="0.42662" z3="-0.687312">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.114639" y3="1.640273" z3="2.79049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.234275" y3="-0.738097" z3="-1.529925">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.685956" y3="-1.049226" z3="-1.22803">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.107141" y3="-1.783294" z3="-0.096006">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.66871" y3="-0.557557" z3="-2.102512">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.606396" y3="0.727566" z3="-1.190944">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.149032" y3="-2.369655" z3="0.909528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.482125" y3="-1.992231" z3="0.13117">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.023654" y3="-0.783967" z3="-1.879385">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.436957" y3="-1.504128" z3="-0.755048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.535321" y3="-1.751085" z3="-1.821052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.442933" y3="-2.437487" z3="-0.743145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.835174" y3="-0.48963" z3="-0.617936">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.852031" y3="-4.369381" z3="0.774357">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.332652" y3="-4.275284" z3="1.361375">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.615372" y3="-4.078246" z3="-0.236925">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.590779" y3="3.168665" z3="-0.195837">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.513746" y3="2.004063" z3="0.794122">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.984607" y3="3.19026" z3="-1.474508">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.692644" y3="1.621421" z3="-1.828401">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.324862" y3="2.854696" z3="-0.333962">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.145158" y3="2.626487" z3="1.42601">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.594128" y3="-1.609445" z3="-1.428662">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.148124" y3="-0.42975" z3="-2.577308">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.356575" y3="0.009822" z3="-2.975096">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.140561" y3="-1.945459" z3="0.880046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.524563" y3="-2.267736" z3="1.923284">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.804662" y3="-2.540832" z3="1.018836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.755473" y3="-0.393672" z3="-2.579545">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.490789" y3="-1.679118" z3="-0.564452">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.654441" y3="-2.237405" z3="-2.790083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.48945" y3="-1.842825" z3="-1.5113">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3403,1.4137,-1.5956;-4.8563,.609,.3941;.845,.0229,2.4467;-1.3415,2.074,3.6719;4.4036,1.3884,-.3738;-3.2664,1.1289,2.9322;-6.3758,-3.692,-.7687;-7.0861,-1.6769,.0158;-.2349,1.6868,1.1073;2.3708,.3188,-.3266;-5.8123,-.3309,-2.0162;-6.0787,1.8126,-1.7919;4.9745,-3.8676,.6861;-6.437,.1204,-3.1259;-6.5677,1.4002,-2.9898;.4829,2.0872,-.1006;1.7349,1.3237,.4487;.7745,.8465,1.5633;-1.6212,1.7598,1.3258;-2.4349,2.0087,.2648;-1.9832,2.1378,-1.172;-3.9068,2.2205,.4519;3.6965,.4266,-.6873;-2.1146,1.6403,2.7905;4.2343,-.7381,-1.5299;5.686,-1.0492,-1.228;6.1071,-1.7833,-.096;6.6687,-.5576,-2.1025;-5.6064,.7276,-1.1909;5.149,-2.3697,.9095;7.4821,-1.9922,.1312;8.0237,-.784,-1.8794;8.437,-1.5041,-.755;-5.5353,-1.7511,-1.8211;-6.4429,-2.4375,-.7431;1.8352,-.4896,-.6179;5.852,-4.3694,.7744;4.3327,-4.2753,1.3614;4.6154,-4.0782,-.2369;.5908,3.1687,-.1958;2.5137,2.0041,.7941;-1.9846,3.1903,-1.4745;-2.6926,1.6214,-1.8284;-4.3249,2.8547,-.334;-4.1452,2.6265,1.426;3.5941,-1.6094,-1.4287;4.1481,-.4298,-2.5773;6.3566,.0098,-2.9751;4.1406,-1.9455,.88;5.5246,-2.2677,1.9233;7.8047,-2.5408,1.0188;8.7555,-.3937,-2.5795;9.4908,-1.6791,-.5645;-5.6544,-2.2374,-2.7901;-4.4894,-1.8428,-1.5113;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1802590 0.0387145 0.0372436</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.325423" y3="1.418023" z3="-1.558583">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.843234" y3="0.554249" z3="0.442234">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.877425" y3="0.106933" z3="2.494671">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.25817" y3="2.161071" z3="3.679126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.392757" y3="1.411973" z3="-0.414979">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.199804" y3="1.178785" z3="3.031597">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.381884" y3="-3.760686" z3="-0.889949">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.074781" y3="-1.761559" z3="-0.064019">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.226413" y3="1.736609" z3="1.137235">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.376052" y3="0.363753" z3="-0.305734">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.737339" y3="-0.369009" z3="-2.008612">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.000519" y3="1.781461" z3="-1.756735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.883194" y3="-3.828066" z3="0.663273">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.33007" y3="0.114464" z3="-3.140648">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.463478" y3="1.38178" z3="-2.977866">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.480001" y3="2.136101" z3="-0.077686">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.741881" y3="1.389884" z3="0.468875">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.795065" y3="0.916078" z3="1.598728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.606191" y3="1.799406" z3="1.361881">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.426419" y3="2.010641" z3="0.298978">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.974993" y3="2.118325" z3="-1.141895">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.914906" y3="2.182314" z3="0.461624">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.691826" y3="0.454289" z3="-0.692713">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.061747" y3="1.698949" z3="2.841044">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.216733" y3="-0.722324" z3="-1.518416">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.673586" y3="-1.045862" z3="-1.251679">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.078302" y3="-1.782636" z3="-0.117443">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.666309" y3="-0.579523" z3="-2.12844">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.55618" y3="0.6721" z3="-1.159018">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.100235" y3="-2.33019" z3="0.888157">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.430723" y3="-2.031724" z3="0.113759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.010582" y3="-0.843992" z3="-1.895263">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.395843" y3="-1.574994" z3="-0.768791">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.484355" y3="-1.795346" z3="-1.851631">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.433556" y3="-2.504966" z3="-0.82759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.831943" y3="-0.448881" z3="-0.574527">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.767196" y3="-4.342324" z3="0.762423">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.219106" y3="-4.20691" z3="1.340141">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.521658" y3="-4.026945" z3="-0.27485">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.572168" y3="3.217456" z3="-0.189251">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.522561" y3="2.081174" z3="0.799854">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.009845" y3="3.161589" z3="-1.475587">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.673157" y3="1.563042" z3="-1.775064">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.345058" y3="2.794307" z3="-0.333785">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.168444" y3="2.604872" z3="1.431731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.580394" y3="-1.595254" z3="-1.383082">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.109338" y3="-0.420951" z3="-2.563343">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.370329" y3="-0.002082" z3="-2.998956">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.119165" y3="-1.853897" z3="0.834637">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.467888" y3="-2.231044" z3="1.906309">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.72845" y3="-2.585123" z3="1.003042">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.760025" y3="-0.474985" z3="-2.587985">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.443379" y3="-1.782385" z3="-0.576843">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.589888" y3="-2.246817" z3="-2.837563">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.446605" y3="-1.924363" z3="-1.531456">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3254,1.418,-1.5586;-4.8432,.5542,.4422;.8774,.1069,2.4947;-1.2582,2.1611,3.6791;4.3928,1.412,-.415;-3.1998,1.1788,3.0316;-6.3819,-3.7607,-.8899;-7.0748,-1.7616,-.064;-.2264,1.7366,1.1372;2.3761,.3638,-.3057;-5.7373,-.369,-2.0086;-6.0005,1.7815,-1.7567;4.8832,-3.8281,.6633;-6.3301,.1145,-3.1406;-6.4635,1.3818,-2.9779;.48,2.1361,-.0777;1.7419,1.3899,.4689;.7951,.9161,1.5987;-1.6062,1.7994,1.3619;-2.4264,2.0106,.299;-1.975,2.1183,-1.1419;-3.9149,2.1823,.4616;3.6918,.4543,-.6927;-2.0617,1.6989,2.841;4.2167,-.7223,-1.5184;5.6736,-1.0459,-1.2517;6.0783,-1.7826,-.1174;6.6663,-.5795,-2.1284;-5.5562,.6721,-1.159;5.1002,-2.3302,.8882;7.4307,-2.0317,.1138;8.0106,-.844,-1.8953;8.3958,-1.575,-.7688;-5.4844,-1.7953,-1.8516;-6.4336,-2.505,-.8276;1.8319,-.4489,-.5745;5.7672,-4.3423,.7624;4.2191,-4.2069,1.3401;4.5217,-4.0269,-.2748;.5722,3.2175,-.1893;2.5226,2.0812,.7999;-2.0098,3.1616,-1.4756;-2.6732,1.563,-1.7751;-4.3451,2.7943,-.3338;-4.1684,2.6049,1.4317;3.5804,-1.5953,-1.3831;4.1093,-.421,-2.5633;6.3703,-.0021,-2.999;4.1192,-1.8539,.8346;5.4679,-2.231,1.9063;7.7284,-2.5851,1.003;8.76,-.475,-2.588;9.4434,-1.7824,-.5768;-5.5899,-2.2468,-2.8376;-4.4466,-1.9244,-1.5315;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1761310 0.0392309 0.0374407</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.285197" y3="1.466883" z3="-1.532701">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.810411" y3="0.515629" z3="0.444357">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.881119" y3="0.170372" z3="2.535834">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.215981" y3="2.197417" z3="3.66894">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.405972" y3="1.437199" z3="-0.405591">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.156973" y3="1.19279" z3="3.070231">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.265136" y3="-3.816339" z3="-0.901178">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.988827" y3="-1.834793" z3="-0.072714">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.215178" y3="1.787099" z3="1.163837">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.392698" y3="0.422976" z3="-0.277776">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.663057" y3="-0.420272" z3="-2.016595">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-5.97332" y3="1.725735" z3="-1.76287">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.757659" y3="-3.807423" z3="0.62724">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.254504" y3="0.052237" z3="-3.15497">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.421702" y3="1.318373" z3="-2.983722">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.49263" y3="2.19991" z3="-0.044844">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.753493" y3="1.459063" z3="0.504203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.803955" y3="0.978288" z3="1.637121">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.599426" y3="1.835723" z3="1.374058">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.412873" y3="2.030158" z3="0.310053">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.949315" y3="2.140645" z3="-1.132315">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.910795" y3="2.161882" z3="0.45542">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.697171" y3="0.492734" z3="-0.674335">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.035986" y3="1.721825" z3="2.85062">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.189863" y3="-0.693437" z3="-1.504714">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.644783" y3="-1.045924" z3="-1.260128">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.033824" y3="-1.798909" z3="-0.134001">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.640075" y3="-0.593622" z3="-2.134696">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.514452" y3="0.616361" z3="-1.164968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.028593" y3="-2.319735" z3="0.860465">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.374223" y3="-2.082029" z3="0.088426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.981631" y3="-0.889056" z3="-1.907619">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.35029" y3="-1.63907" z3="-0.791724">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.387457" y3="-1.838472" z3="-1.856207">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.334091" y3="-2.56572" z3="-0.839994">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.843265" y3="-0.385735" z3="-0.541093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.637013" y3="-4.346106" z3="0.735259">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.06857" y3="-4.160972" z3="1.304474">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.391054" y3="-3.984447" z3="-0.325602">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.57185" y3="3.283392" z3="-0.158497">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.527416" y3="2.156668" z3="0.841478">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.005084" y3="3.180776" z3="-1.47711">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.630908" y3="1.565277" z3="-1.763892">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.35559" y3="2.760695" z3="-0.340032">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.173727" y3="2.585353" z3="1.427104">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.535986" y3="-1.560844" z3="-1.356499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.072523" y3="-0.388255" z3="-2.54777">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.354526" y3="-0.001777" z3="-2.998076">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.074856" y3="-1.805719" z3="0.791946">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.389606" y3="-2.242979" z3="1.88784">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.65746" y3="-2.647448" z3="0.968557">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.739153" y3="-0.529556" z3="-2.596728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.393681" y3="-1.871064" z3="-0.605715">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.481968" y3="-2.287188" z3="-2.843545">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.35133" y3="-1.961781" z3="-1.5299">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2852,1.4669,-1.5327;-4.8104,.5156,.4444;.8811,.1704,2.5358;-1.216,2.1974,3.6689;4.406,1.4372,-.4056;-3.157,1.1928,3.0702;-6.2651,-3.8163,-.9012;-6.9888,-1.8348,-.0727;-.2152,1.7871,1.1638;2.3927,.423,-.2778;-5.6631,-.4203,-2.0166;-5.9733,1.7257,-1.7629;4.7577,-3.8074,.6272;-6.2545,.0522,-3.155;-6.4217,1.3184,-2.9837;.4926,2.1999,-.0448;1.7535,1.4591,.5042;.804,.9783,1.6371;-1.5994,1.8357,1.3741;-2.4129,2.0302,.3101;-1.9493,2.1406,-1.1323;-3.9108,2.1619,.4554;3.6972,.4927,-.6743;-2.036,1.7218,2.8506;4.1899,-.6934,-1.5047;5.6448,-1.0459,-1.2601;6.0338,-1.7989,-.134;6.6401,-.5936,-2.1347;-5.5145,.6164,-1.165;5.0286,-2.3197,.8605;7.3742,-2.082,.0884;7.9816,-.8891,-1.9076;8.3503,-1.6391,-.7917;-5.3875,-1.8385,-1.8562;-6.3341,-2.5657,-.84;1.8433,-.3857,-.5411;5.637,-4.3461,.7353;4.0686,-4.161,1.3045;4.3911,-3.9844,-.3256;.5718,3.2834,-.1585;2.5274,2.1567,.8415;-2.0051,3.1808,-1.4771;-2.6309,1.5653,-1.7639;-4.3556,2.7607,-.34;-4.1737,2.5854,1.4271;3.536,-1.5608,-1.3565;4.0725,-.3883,-2.5478;6.3545,-.0018,-2.9981;4.0749,-1.8057,.7919;5.3896,-2.243,1.8878;7.6575,-2.6474,.9686;8.7392,-.5296,-2.5967;9.3937,-1.8711,-.6057;-5.482,-2.2872,-2.8435;-4.3513,-1.9618,-1.5299;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1728338 0.0398882 0.0378630</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.278196" y3="1.494109" z3="-1.544067">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.803486" y3="0.543324" z3="0.412312">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.857854" y3="0.13779" z3="2.515703">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.287116" y3="2.16799" z3="3.673974">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.430555" y3="1.450249" z3="-0.370197">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.21787" y3="1.188585" z3="3.000703">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.212596" y3="-3.80157" z3="-0.824404">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.962068" y3="-1.809652" z3="-0.01952">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.221157" y3="1.779501" z3="1.156926">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.385564" y3="0.422515" z3="-0.275818">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.678384" y3="-0.423365" z3="-2.021058">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.012074" y3="1.714739" z3="-1.791887">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.780968" y3="-3.841278" z3="0.625808">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.288913" y3="0.021312" z3="-3.151908">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.470606" y3="1.291954" z3="-2.997701">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.498334" y3="2.201313" z3="-0.041084">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.750863" y3="1.446008" z3="0.50882">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.790182" y3="0.957616" z3="1.627756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.611977" y3="1.836578" z3="1.356497">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.413947" y3="2.049995" z3="0.289691">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.942761" y3="2.17506" z3="-1.148801">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.904706" y3="2.189101" z3="0.442864">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.699095" y3="0.495082" z3="-0.660102">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.084358" y3="1.71048" z3="2.821671">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.186873" y3="-0.688184" z3="-1.502942">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.637831" y3="-1.047778" z3="-1.247485">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.035763" y3="-1.813917" z3="-0.127573">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.628297" y3="-0.581065" z3="-2.119818">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.531931" y3="0.625527" z3="-1.188489">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.042813" y3="-2.356973" z3="0.871872">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.393152" y3="-2.090884" z3="0.082281">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.976801" y3="-0.868528" z3="-1.907024">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.363069" y3="-1.628189" z3="-0.803581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.378565" y3="-1.834136" z3="-1.834973">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.299861" y3="-2.552198" z3="-0.787798">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.83464" y3="-0.378608" z3="-0.553274">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.653844" y3="-4.373368" z3="0.715236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.105788" y3="-4.209892" z3="1.303145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.408168" y3="-4.010059" z3="-0.315123">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.586035" y3="3.285364" z3="-0.140708">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.52541" y3="2.132141" z3="0.859138">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.988405" y3="3.219454" z3="-1.480122">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.625324" y3="1.612965" z3="-1.793572">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.349728" y3="2.800056" z3="-0.34282">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.161153" y3="2.599707" z3="1.418075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.526636" y3="-1.550867" z3="-1.37103">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.079306" y3="-0.372513" z3="-2.545875">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.334028" y3="0.018755" z3="-2.97552">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.080206" y3="-1.855081" z3="0.82171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.414545" y3="-2.289914" z3="1.895099">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.690614" y3="-2.665305" z3="0.954836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.724726" y3="-0.494296" z3="-2.598986">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.410321" y3="-1.853122" z3="-0.629576">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.47961" y3="-2.305366" z3="-2.812324">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.33584" y3="-1.934374" z3="-1.519618">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2782,1.4941,-1.5441;-4.8035,.5433,.4123;.8579,.1378,2.5157;-1.2871,2.168,3.674;4.4306,1.4502,-.3702;-3.2179,1.1886,3.0007;-6.2126,-3.8016,-.8244;-6.9621,-1.8097,-.0195;-.2212,1.7795,1.1569;2.3856,.4225,-.2758;-5.6784,-.4234,-2.0211;-6.0121,1.7147,-1.7919;4.781,-3.8413,.6258;-6.2889,.0213,-3.1519;-6.4706,1.292,-2.9977;.4983,2.2013,-.0411;1.7509,1.446,.5088;.7902,.9576,1.6278;-1.612,1.8366,1.3565;-2.4139,2.05,.2897;-1.9428,2.1751,-1.1488;-3.9047,2.1891,.4429;3.6991,.4951,-.6601;-2.0844,1.7105,2.8217;4.1869,-.6882,-1.5029;5.6378,-1.0478,-1.2475;6.0358,-1.8139,-.1276;6.6283,-.5811,-2.1198;-5.5319,.6255,-1.1885;5.0428,-2.357,.8719;7.3932,-2.0909,.0823;7.9768,-.8685,-1.907;8.3631,-1.6282,-.8036;-5.3786,-1.8341,-1.835;-6.2999,-2.5522,-.7878;1.8346,-.3786,-.5533;5.6538,-4.3734,.7152;4.1058,-4.2099,1.3031;4.4082,-4.0101,-.3151;.586,3.2854,-.1407;2.5254,2.1321,.8591;-1.9884,3.2195,-1.4801;-2.6253,1.613,-1.7936;-4.3497,2.8001,-.3428;-4.1612,2.5997,1.4181;3.5266,-1.5509,-1.371;4.0793,-.3725,-2.5459;6.334,.0188,-2.9755;4.0802,-1.8551,.8217;5.4145,-2.2899,1.8951;7.6906,-2.6653,.9548;8.7247,-.4943,-2.599;9.4103,-1.8531,-.6296;-5.4796,-2.3054,-2.8123;-4.3358,-1.9344,-1.5196;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1734842 0.0397786 0.0378561</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.281728" y3="1.495933" z3="-1.554367">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.804178" y3="0.567146" z3="0.397339">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.845311" y3="0.111306" z3="2.501368">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.299789" y3="2.148699" z3="3.671071">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.401579" y3="1.409853" z3="-0.363518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.230005" y3="1.188866" z3="2.981711">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.200269" y3="-3.776656" z3="-0.770988">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.951749" y3="-1.783175" z3="0.003157">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.221429" y3="1.76661" z3="1.148728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.37889" y3="0.402698" z3="-0.283184">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.689862" y3="-0.416433" z3="-2.024165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.029144" y3="1.721089" z3="-1.812278">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.809837" y3="-3.863398" z3="0.620892">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.306037" y3="0.012693" z3="-3.15185">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.490939" y3="1.288591" z3="-3.011032">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.502106" y3="2.188122" z3="-0.046445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.749878" y3="1.422589" z3="0.502353">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.783594" y3="0.935973" z3="1.616773">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.613418" y3="1.832524" z3="1.347513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.415547" y3="2.058003" z3="0.278463">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.943996" y3="2.186397" z3="-1.158721">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.901763" y3="2.208475" z3="0.436005">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.688648" y3="0.476423" z3="-0.658601">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.092143" y3="1.703314" z3="2.810234">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.183719" y3="-0.699647" z3="-1.506712">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.634007" y3="-1.049458" z3="-1.23718">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.037859" y3="-1.815608" z3="-0.122025">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.620193" y3="-0.5654" z3="-2.103945">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.541328" y3="0.642514" z3="-1.200528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.051799" y3="-2.379127" z3="0.87308">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.400594" y3="-2.074478" z3="0.088079">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.971889" y3="-0.834155" z3="-1.892588">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.367241" y3="-1.594135" z3="-0.792839">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.381952" y3="-1.823782" z3="-1.818446">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.291969" y3="-2.529725" z3="-0.753839">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.827219" y3="-0.395283" z3="-0.567484">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.684233" y3="-4.387704" z3="0.705125">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.14189" y3="-4.24758" z3="1.295464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.439124" y3="-4.033469" z3="-0.317185">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.597355" y3="3.271973" z3="-0.140577">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.527843" y3="2.10096" z3="0.856411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.980633" y3="3.232704" z3="-1.483673">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.630712" y3="1.633693" z3="-1.808486">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.343623" y3="2.825969" z3="-0.347658">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.15482" y3="2.614854" z3="1.410829">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.524981" y3="-1.563831" z3="-1.387206">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.083871" y3="-0.380245" z3="-2.550127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.319426" y3="0.034927" z3="-2.957383">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.077995" y3="-1.895899" z3="0.828214">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.423471" y3="-2.313139" z3="1.895785">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.705743" y3="-2.650024" z3="0.958452">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.714324" y3="-0.445206" z3="-2.582477">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.417031" y3="-1.805711" z3="-0.6176">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.485968" y3="-2.310439" z3="-2.78846">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.3370" y3="-1.912398" z3="-1.506138">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2817,1.4959,-1.5544;-4.8042,.5671,.3973;.8453,.1113,2.5014;-1.2998,2.1487,3.6711;4.4016,1.4099,-.3635;-3.23,1.1889,2.9817;-6.2003,-3.7767,-.771;-6.9517,-1.7832,.0032;-.2214,1.7666,1.1487;2.3789,.4027,-.2832;-5.6899,-.4164,-2.0242;-6.0291,1.7211,-1.8123;4.8098,-3.8634,.6209;-6.306,.0127,-3.1519;-6.4909,1.2886,-3.011;.5021,2.1881,-.0464;1.7499,1.4226,.5024;.7836,.936,1.6168;-1.6134,1.8325,1.3475;-2.4155,2.058,.2785;-1.944,2.1864,-1.1587;-3.9018,2.2085,.436;3.6886,.4764,-.6586;-2.0921,1.7033,2.8102;4.1837,-.6996,-1.5067;5.634,-1.0495,-1.2372;6.0379,-1.8156,-.122;6.6202,-.5654,-2.1039;-5.5413,.6425,-1.2005;5.0518,-2.3791,.8731;7.4006,-2.0745,.0881;7.9719,-.8342,-1.8926;8.3672,-1.5941,-.7928;-5.382,-1.8238,-1.8184;-6.292,-2.5297,-.7538;1.8272,-.3953,-.5675;5.6842,-4.3877,.7051;4.1419,-4.2476,1.2955;4.4391,-4.0335,-.3172;.5974,3.272,-.1406;2.5278,2.101,.8564;-1.9806,3.2327,-1.4837;-2.6307,1.6337,-1.8085;-4.3436,2.826,-.3477;-4.1548,2.6149,1.4108;3.525,-1.5638,-1.3872;4.0839,-.3802,-2.5501;6.3194,.0349,-2.9574;4.078,-1.8959,.8282;5.4235,-2.3131,1.8958;7.7057,-2.65,.9585;8.7143,-.4452,-2.5825;9.417,-1.8057,-.6176;-5.486,-2.3104,-2.7885;-4.337,-1.9124,-1.5061;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1745987 0.0397280 0.0378917</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.285937" y3="1.495308" z3="-1.555817">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.806603" y3="0.567103" z3="0.397503">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841569" y3="0.108714" z3="2.499552">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.301677" y3="2.144161" z3="3.670782">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.425112" y3="1.430016" z3="-0.359132">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.23338" y3="1.184191" z3="2.979991">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.200389" y3="-3.775871" z3="-0.768543">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.956493" y3="-1.776717" z3="0.006715">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225192" y3="1.763949" z3="1.147376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.37783" y3="0.401339" z3="-0.284113">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.691509" y3="-0.41359" z3="-2.02524">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.03058" y3="1.723386" z3="-1.812978">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.811715" y3="-3.861871" z3="0.623392">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.30686" y3="0.015254" z3="-3.152235">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.491099" y3="1.291324" z3="-3.012312">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.498599" y3="2.18574" z3="-0.047389">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746911" y3="1.420496" z3="0.501631">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779974" y3="0.933387" z3="1.615279">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616754" y3="1.829484" z3="1.346194">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.418668" y3="2.055982" z3="0.278781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.948271" y3="2.185306" z3="-1.158456">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.90459" y3="2.207863" z3="0.437797">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.694317" y3="0.477667" z3="-0.659787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094858" y3="1.699299" z3="2.808665">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.187143" y3="-0.701482" z3="-1.508995">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.637064" y3="-1.05131" z3="-1.237981">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.040912" y3="-1.815582" z3="-0.12226">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.623736" y3="-0.568106" z3="-2.105678">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.542506" y3="0.645418" z3="-1.20053">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.054277" y3="-2.377599" z3="0.872558">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.403449" y3="-2.073647" z3="0.088459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.975603" y3="-0.836239" z3="-1.893923">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.370548" y3="-1.594786" z3="-0.79236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.383589" y3="-1.821006" z3="-1.817912">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.293256" y3="-2.526158" z3="-0.751728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.827365" y3="-0.397051" z3="-0.56927">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.68543" y3="-4.388878" z3="0.708178">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.143769" y3="-4.245775" z3="1.298628">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.440442" y3="-4.034179" z3="-0.31492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.59346" y3="3.269747" z3="-0.140735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.524382" y3="2.099172" z3="0.856346">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.984195" y3="3.232147" z3="-1.481878">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.635477" y3="1.634092" z3="-1.808898">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.345858" y3="2.825851" z3="-0.346116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.15796" y3="2.613673" z3="1.412863">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.526769" y3="-1.564645" z3="-1.389261">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.087785" y3="-0.383946" z3="-2.552839">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.323167" y3="0.030777" z3="-2.96018">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.079299" y3="-1.896443" z3="0.827657">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.426007" y3="-2.310286" z3="1.895237">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.708653" y3="-2.647856" z3="0.959638">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.717919" y3="-0.448171" z3="-2.584446">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.420144" y3="-1.806178" z3="-0.615902">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.487203" y3="-2.308789" z3="-2.787369">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.338797" y3="-1.907897" z3="-1.5047">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2859,1.4953,-1.5558;-4.8066,.5671,.3975;.8416,.1087,2.4996;-1.3017,2.1442,3.6708;4.4251,1.43,-.3591;-3.2334,1.1842,2.98;-6.2004,-3.7759,-.7685;-6.9565,-1.7767,.0067;-.2252,1.7639,1.1474;2.3778,.4013,-.2841;-5.6915,-.4136,-2.0252;-6.0306,1.7234,-1.813;4.8117,-3.8619,.6234;-6.3069,.0153,-3.1522;-6.4911,1.2913,-3.0123;.4986,2.1857,-.0474;1.7469,1.4205,.5016;.78,.9334,1.6153;-1.6168,1.8295,1.3462;-2.4187,2.056,.2788;-1.9483,2.1853,-1.1585;-3.9046,2.2079,.4378;3.6943,.4777,-.6598;-2.0949,1.6993,2.8087;4.1871,-.7015,-1.509;5.6371,-1.0513,-1.238;6.0409,-1.8156,-.1223;6.6237,-.5681,-2.1057;-5.5425,.6454,-1.2005;5.0543,-2.3776,.8726;7.4034,-2.0736,.0885;7.9756,-.8362,-1.8939;8.3705,-1.5948,-.7924;-5.3836,-1.821,-1.8179;-6.2933,-2.5262,-.7517;1.8274,-.3971,-.5693;5.6854,-4.3889,.7082;4.1438,-4.2458,1.2986;4.4404,-4.0342,-.3149;.5935,3.2697,-.1407;2.5244,2.0992,.8563;-1.9842,3.2321,-1.4819;-2.6355,1.6341,-1.8089;-4.3459,2.8259,-.3461;-4.158,2.6137,1.4129;3.5268,-1.5646,-1.3893;4.0878,-.3839,-2.5528;6.3232,.0308,-2.9602;4.0793,-1.8964,.8277;5.426,-2.3103,1.8952;7.7087,-2.6479,.9596;8.7179,-.4482,-2.5844;9.4201,-1.8062,-.6159;-5.4872,-2.3088,-2.7874;-4.3388,-1.9079,-1.5047;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1746889 0.0396848 0.0378638</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.289274" y3="1.488493" z3="-1.560735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.809354" y3="0.572024" z3="0.397908">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841207" y3="0.100951" z3="2.495042">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.296602" y3="2.138628" z3="3.666641">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.398618" y3="1.401584" z3="-0.365722">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.229671" y3="1.182736" z3="2.979338">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.211638" y3="-3.762195" z3="-0.759403">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.96231" y3="-1.764927" z3="0.009389">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.224275" y3="1.757029" z3="1.142696">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.377321" y3="0.390424" z3="-0.289951">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.696794" y3="-0.406574" z3="-2.024431">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.030605" y3="1.731021" z3="-1.813933">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.824252" y3="-3.866037" z3="0.623515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.311058" y3="0.022061" z3="-3.150955">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.491298" y3="1.299162" z3="-3.01324">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.499099" y3="2.176679" z3="-0.05309">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746956" y3="1.410332" z3="0.49576">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779865" y3="0.925189" z3="1.610214">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.615348" y3="1.824797" z3="1.343225">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.418542" y3="2.053251" z3="0.277015">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.95017" y3="2.181269" z3="-1.160737">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903891" y3="2.210192" z3="0.43821">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.687882" y3="0.467236" z3="-0.663185">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.091144" y3="1.695763" z3="2.806011">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.187144" y3="-0.707846" z3="-1.511621">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.638084" y3="-1.050544" z3="-1.235698">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.04359" y3="-1.812586" z3="-0.119431">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.624154" y3="-0.561507" z3="-2.101148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.544381" y3="0.653199" z3="-1.200081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.057784" y3="-2.380592" z3="0.872333">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.407127" y3="-2.062286" z3="0.094432">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.976984" y3="-0.821633" z3="-1.886519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.373615" y3="-1.577904" z3="-0.783681">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.392078" y3="-1.81453" z3="-1.814061">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.301585" y3="-2.514987" z3="-0.745358">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.827892" y3="-0.408622" z3="-0.575712">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.699648" y3="-4.390567" z3="0.709537">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.157718" y3="-4.254826" z3="1.297511">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.455363" y3="-4.04168" z3="-0.315352">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.59548" y3="3.260555" z3="-0.146724">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.525493" y3="2.088385" z3="0.849668">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.98331" y3="3.228493" z3="-1.483287">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.639409" y3="1.632587" z3="-1.811067">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.343224" y3="2.828703" z3="-0.346544">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.156281" y3="2.617006" z3="1.41309">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.528991" y3="-1.573014" z3="-1.394677">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.089714" y3="-0.391216" z3="-2.555827">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.322307" y3="0.035443" z3="-2.956531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.078702" y3="-1.90783" z3="0.826741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.427289" y3="-2.311426" z3="1.895778">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.713997" y3="-2.634728" z3="0.966163">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.718306" y3="-0.429194" z3="-2.575597">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.42387" y3="-1.783234" z3="-0.604176">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.497063" y3="-2.30453" z3="-2.782173">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.347495" y3="-1.901385" z3="-1.500232">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2893,1.4885,-1.5607;-4.8094,.572,.3979;.8412,.101,2.495;-1.2966,2.1386,3.6666;4.3986,1.4016,-.3657;-3.2297,1.1827,2.9793;-6.2116,-3.7622,-.7594;-6.9623,-1.7649,.0094;-.2243,1.757,1.1427;2.3773,.3904,-.29;-5.6968,-.4066,-2.0244;-6.0306,1.731,-1.8139;4.8243,-3.866,.6235;-6.3111,.0221,-3.151;-6.4913,1.2992,-3.0132;.4991,2.1767,-.0531;1.747,1.4103,.4958;.7799,.9252,1.6102;-1.6153,1.8248,1.3432;-2.4185,2.0533,.277;-1.9502,2.1813,-1.1607;-3.9039,2.2102,.4382;3.6879,.4672,-.6632;-2.0911,1.6958,2.806;4.1871,-.7078,-1.5116;5.6381,-1.0505,-1.2357;6.0436,-1.8126,-.1194;6.6242,-.5615,-2.1011;-5.5444,.6532,-1.2001;5.0578,-2.3806,.8723;7.4071,-2.0623,.0944;7.977,-.8216,-1.8865;8.3736,-1.5779,-.7837;-5.3921,-1.8145,-1.8141;-6.3016,-2.515,-.7454;1.8279,-.4086,-.5757;5.6996,-4.3906,.7095;4.1577,-4.2548,1.2975;4.4554,-4.0417,-.3154;.5955,3.2606,-.1467;2.5255,2.0884,.8497;-1.9833,3.2285,-1.4833;-2.6394,1.6326,-1.8111;-4.3432,2.8287,-.3465;-4.1563,2.617,1.4131;3.529,-1.573,-1.3947;4.0897,-.3912,-2.5558;6.3223,.0354,-2.9565;4.0787,-1.9078,.8267;5.4273,-2.3114,1.8958;7.714,-2.6347,.9662;8.7183,-.4292,-2.5756;9.4239,-1.7832,-.6042;-5.4971,-2.3045,-2.7822;-4.3475,-1.9014,-1.5002;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1753830 0.0396564 0.0378708</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.290946" y3="1.489829" z3="-1.560355">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.811422" y3="0.570942" z3="0.39695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.839751" y3="0.100871" z3="2.495638">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.300284" y3="2.135913" z3="3.668121">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.423552" y3="1.425159" z3="-0.360088">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.233273" y3="1.178715" z3="2.978236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.211542" y3="-3.764802" z3="-0.759387">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.964975" y3="-1.763314" z3="0.010307">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.226699" y3="1.756563" z3="1.143376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.37754" y3="0.393215" z3="-0.288411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.697907" y3="-0.406673" z3="-2.025859">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.031997" y3="1.730848" z3="-1.815133">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.822603" y3="-3.863462" z3="0.625827">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.311949" y3="0.021945" z3="-3.1522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.491863" y3="1.299275" z3="-3.014801">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496862" y3="2.177081" z3="-0.052002">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.745228" y3="1.411769" z3="0.497306">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.778042" y3="0.925341" z3="1.611008">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.617886" y3="1.82308" z3="1.343616">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.42092" y3="2.051999" z3="0.277578">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.952519" y3="2.181122" z3="-1.159987">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.906266" y3="2.209121" z3="0.439024">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.694433" y3="0.472095" z3="-0.662539">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094397" y3="1.692913" z3="2.806044">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.190279" y3="-0.706258" z3="-1.511914">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.640611" y3="-1.051579" z3="-1.236944">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.045702" y3="-1.813251" z3="-0.120363">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.626925" y3="-0.565364" z3="-2.103844">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.545514" y3="0.653139" z3="-1.2013">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.059384" y3="-2.378242" z3="0.872411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.40903" y3="-2.065176" z3="0.092629">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.979512" y3="-0.827834" z3="-1.890241">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.375696" y3="-1.58358" z3="-0.78684">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.393115" y3="-1.81471" z3="-1.814971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.302251" y3="-2.515099" z3="-0.745375">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.829064" y3="-0.406122" z3="-0.574648">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.696362" y3="-4.390734" z3="0.711477">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.15612" y3="-4.250475" z3="1.300926">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.452334" y3="-4.039863" z3="-0.312347">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.592325" y3="3.261133" z3="-0.144955">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.522695" y3="2.090552" z3="0.851935">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.985578" y3="3.228736" z3="-1.481359">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.641365" y3="1.633131" z3="-1.811292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.345041" y3="2.827764" z3="-0.345941">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.15919" y3="2.615424" z3="1.413972">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.530091" y3="-1.569883" z3="-1.393866">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.092458" y3="-0.390836" z3="-2.55641">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.325514" y3="0.031086" z3="-2.959732">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.080585" y3="-1.904754" z3="0.827774">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.429996" y3="-2.30886" z3="1.89548">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.7158" y3="-2.637242" z3="0.964657">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.720829" y3="-0.437594" z3="-2.58058">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.425693" y3="-1.790675" z3="-0.607845">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.497884" y3="-2.30518" z3="-2.78285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.348586" y3="-1.900411" z3="-1.500577">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2909,1.4898,-1.5604;-4.8114,.5709,.397;.8398,.1009,2.4956;-1.3003,2.1359,3.6681;4.4236,1.4252,-.3601;-3.2333,1.1787,2.9782;-6.2115,-3.7648,-.7594;-6.965,-1.7633,.0103;-.2267,1.7566,1.1434;2.3775,.3932,-.2884;-5.6979,-.4067,-2.0259;-6.032,1.7308,-1.8151;4.8226,-3.8635,.6258;-6.3119,.0219,-3.1522;-6.4919,1.2993,-3.0148;.4969,2.1771,-.052;1.7452,1.4118,.4973;.778,.9253,1.611;-1.6179,1.8231,1.3436;-2.4209,2.052,.2776;-1.9525,2.1811,-1.16;-3.9063,2.2091,.439;3.6944,.4721,-.6625;-2.0944,1.6929,2.806;4.1903,-.7063,-1.5119;5.6406,-1.0516,-1.2369;6.0457,-1.8133,-.1204;6.6269,-.5654,-2.1038;-5.5455,.6531,-1.2013;5.0594,-2.3782,.8724;7.409,-2.0652,.0926;7.9795,-.8278,-1.8902;8.3757,-1.5836,-.7868;-5.3931,-1.8147,-1.815;-6.3023,-2.5151,-.7454;1.8291,-.4061,-.5746;5.6964,-4.3907,.7115;4.1561,-4.2505,1.3009;4.4523,-4.0399,-.3123;.5923,3.2611,-.145;2.5227,2.0906,.8519;-1.9856,3.2287,-1.4814;-2.6414,1.6331,-1.8113;-4.345,2.8278,-.3459;-4.1592,2.6154,1.414;3.5301,-1.5699,-1.3939;4.0925,-.3908,-2.5564;6.3255,.0311,-2.9597;4.0806,-1.9048,.8278;5.43,-2.3089,1.8955;7.7158,-2.6372,.9647;8.7208,-.4376,-2.5806;9.4257,-1.7907,-.6078;-5.4979,-2.3052,-2.7828;-4.3486,-1.9004,-1.5006;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1752460 0.0396212 0.0378393</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.292061" y3="1.484381" z3="-1.5640">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.813011" y3="0.574255" z3="0.397374">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.840906" y3="0.096117" z3="2.492467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.296464" y3="2.132592" z3="3.665072">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.398284" y3="1.399645" z3="-0.366149">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.230151" y3="1.177922" z3="2.9772">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.222621" y3="-3.755417" z3="-0.753991">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.970195" y3="-1.755156" z3="0.012638">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.224957" y3="1.751701" z3="1.13989">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.378117" y3="0.385808" z3="-0.292531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.702761" y3="-0.40201" z3="-2.024665">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.031778" y3="1.73626" z3="-1.814842">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.831766" y3="-3.866414" z3="0.625334">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.316555" y3="0.027223" z3="-3.150639">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.492713" y3="1.305218" z3="-3.014276">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.498191" y3="2.170535" z3="-0.056425">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746145" y3="1.404851" z3="0.492943">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.77917" y3="0.919859" z3="1.607458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.615864" y3="1.819623" z3="1.341363">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.419636" y3="2.049662" z3="0.276076">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.952569" y3="2.17761" z3="-1.161907">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.904485" y3="2.210475" z3="0.43908">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.688881" y3="0.464657" z3="-0.664783">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.09128" y3="1.690592" z3="2.80401">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.190397" y3="-0.709801" z3="-1.513064">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.641509" y3="-1.050095" z3="-1.235117">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.047479" y3="-1.810708" z3="-0.118155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.627409" y3="-0.559743" z3="-2.100081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.547043" y3="0.658045" z3="-1.200703">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.061701" y3="-2.380211" z3="0.872348">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.411383" y3="-2.057025" z3="0.097303">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.980577" y3="-0.816931" z3="-1.884216">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.377719" y3="-1.571299" z3="-0.780207">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.401211" y3="-1.810707" z3="-1.81271">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.310269" y3="-2.507628" z3="-0.741275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.830405" y3="-0.414163" z3="-0.578941">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.707041" y3="-4.391116" z3="0.712006">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.166248" y3="-4.25686" z3="1.299435">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.46348" y3="-4.04483" z3="-0.313263">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.594641" y3="3.254461" z3="-0.149865">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.524188" y3="2.08351" z3="0.846799">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.983651" y3="3.225425" z3="-1.482867">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.642784" y3="1.631248" z3="-1.813075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.341905" y3="2.829324" z3="-0.346498">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.156214" y3="2.617827" z3="1.413855">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.532309" y3="-1.575179" z3="-1.397041">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.093781" y3="-0.39468" z3="-2.557772">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.32527" y3="0.035579" z3="-2.956497">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.080266" y3="-1.91229" z3="0.827253">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.430505" y3="-2.309877" z3="1.896042">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.719046" y3="-2.628131" z3="0.969631">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.721422" y3="-0.423625" z3="-2.5733">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.428165" y3="-1.774202" z3="-0.599092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.507849" y3="-2.30211" z3="-2.779855">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.356725" y3="-1.897413" z3="-1.498432">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2921,1.4844,-1.564;-4.813,.5743,.3974;.8409,.0961,2.4925;-1.2965,2.1326,3.6651;4.3983,1.3996,-.3661;-3.2302,1.1779,2.9772;-6.2226,-3.7554,-.754;-6.9702,-1.7552,.0126;-.225,1.7517,1.1399;2.3781,.3858,-.2925;-5.7028,-.402,-2.0247;-6.0318,1.7363,-1.8148;4.8318,-3.8664,.6253;-6.3166,.0272,-3.1506;-6.4927,1.3052,-3.0143;.4982,2.1705,-.0564;1.7461,1.4049,.4929;.7792,.9199,1.6075;-1.6159,1.8196,1.3414;-2.4196,2.0497,.2761;-1.9526,2.1776,-1.1619;-3.9045,2.2105,.4391;3.6889,.4647,-.6648;-2.0913,1.6906,2.804;4.1904,-.7098,-1.5131;5.6415,-1.0501,-1.2351;6.0475,-1.8107,-.1182;6.6274,-.5597,-2.1001;-5.547,.658,-1.2007;5.0617,-2.3802,.8723;7.4114,-2.057,.0973;7.9806,-.8169,-1.8842;8.3777,-1.5713,-.7802;-5.4012,-1.8107,-1.8127;-6.3103,-2.5076,-.7413;1.8304,-.4142,-.5789;5.707,-4.3911,.712;4.1662,-4.2569,1.2994;4.4635,-4.0448,-.3133;.5946,3.2545,-.1499;2.5242,2.0835,.8468;-1.9837,3.2254,-1.4829;-2.6428,1.6312,-1.8131;-4.3419,2.8293,-.3465;-4.1562,2.6178,1.4139;3.5323,-1.5752,-1.397;4.0938,-.3947,-2.5578;6.3253,.0356,-2.9565;4.0803,-1.9123,.8273;5.4305,-2.3099,1.896;7.719,-2.6281,.9696;8.7214,-.4236,-2.5733;9.4282,-1.7742,-.5991;-5.5078,-2.3021,-2.7799;-4.3567,-1.8974,-1.4984;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1757724 0.0396006 0.0378429</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.29323" y3="1.485977" z3="-1.562951">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.814812" y3="0.572598" z3="0.39662">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.840022" y3="0.097004" z3="2.49407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.299904" y3="2.130886" z3="3.666766">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.423468" y3="1.424072" z3="-0.360553">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.233121" y3="1.174438" z3="2.977011">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.222609" y3="-3.758624" z3="-0.755674">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.972117" y3="-1.755528" z3="0.012178">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.227153" y3="1.752069" z3="1.141144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.378571" y3="0.389624" z3="-0.290395">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.703485" y3="-0.402839" z3="-2.026068">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.03288" y3="1.735367" z3="-1.815695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.829037" y3="-3.863415" z3="0.62763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.317103" y3="0.02666" z3="-3.151966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.493128" y3="1.304726" z3="-3.015512">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496097" y3="2.171815" z3="-0.054811">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.74467" y3="1.407394" z3="0.495016">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.777777" y3="0.921077" z3="1.608937">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.618176" y3="1.818474" z3="1.342264">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421824" y3="2.04857" z3="0.276929">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954533" y3="2.177509" z3="-1.160848">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.906743" y3="2.209066" z3="0.439797">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.695579" y3="0.470334" z3="-0.663846">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094188" y3="1.688411" z3="2.80467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.193346" y3="-0.707549" z3="-1.512919">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.643817" y3="-1.051042" z3="-1.23656">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.049227" y3="-1.811514" z3="-0.119342">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.630005" y3="-0.564048" z3="-2.103202">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.547952" y3="0.657057" z3="-1.20179">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.062908" y3="-2.377488" z3="0.872527">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.412804" y3="-2.06086" z3="0.094966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.982849" y3="-0.824371" z3="-1.888602">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.379373" y3="-1.578439" z3="-0.784151">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.401885" y3="-1.811659" z3="-1.8143">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.310791" y3="-2.508958" z3="-0.742582">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.831652" y3="-0.410637" z3="-0.576998">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.702778" y3="-4.390709" z3="0.713926">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.163399" y3="-4.251547" z3="1.302976">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.459193" y3="-4.042211" z3="-0.310295">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591464" y3="3.255911" z3="-0.147755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.521547" y3="2.086972" z3="0.849468">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.985887" y3="3.225598" z3="-1.480948">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.644162" y3="1.631394" z3="-1.812831">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.343826" y3="2.82787" z3="-0.346013">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.159059" y3="2.616015" z3="1.414577">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.533259" y3="-1.571363" z3="-1.395435">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.096001" y3="-0.3935" z3="-2.55786">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.328397" y3="0.030952" z3="-2.96003">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.082247" y3="-1.907827" z3="0.828385">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.432987" y3="-2.307095" z3="1.895782">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.720153" y3="-2.631765" z3="0.967544">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.723834" y3="-0.433708" z3="-2.579051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.429511" y3="-1.783664" z3="-0.60385">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.508279" y3="-2.303009" z3="-2.781482">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.357474" y3="-1.897683" z3="-1.499528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2932,1.486,-1.563;-4.8148,.5726,.3966;.84,.097,2.4941;-1.2999,2.1309,3.6668;4.4235,1.4241,-.3606;-3.2331,1.1744,2.977;-6.2226,-3.7586,-.7557;-6.9721,-1.7555,.0122;-.2272,1.7521,1.1411;2.3786,.3896,-.2904;-5.7035,-.4028,-2.0261;-6.0329,1.7354,-1.8157;4.829,-3.8634,.6276;-6.3171,.0267,-3.152;-6.4931,1.3047,-3.0155;.4961,2.1718,-.0548;1.7447,1.4074,.495;.7778,.9211,1.6089;-1.6182,1.8185,1.3423;-2.4218,2.0486,.2769;-1.9545,2.1775,-1.1608;-3.9067,2.2091,.4398;3.6956,.4703,-.6638;-2.0942,1.6884,2.8047;4.1933,-.7075,-1.5129;5.6438,-1.051,-1.2366;6.0492,-1.8115,-.1193;6.63,-.564,-2.1032;-5.548,.6571,-1.2018;5.0629,-2.3775,.8725;7.4128,-2.0609,.095;7.9828,-.8244,-1.8886;8.3794,-1.5784,-.7842;-5.4019,-1.8117,-1.8143;-6.3108,-2.509,-.7426;1.8317,-.4106,-.577;5.7028,-4.3907,.7139;4.1634,-4.2515,1.303;4.4592,-4.0422,-.3103;.5915,3.2559,-.1478;2.5215,2.087,.8495;-1.9859,3.2256,-1.4809;-2.6442,1.6314,-1.8128;-4.3438,2.8279,-.346;-4.1591,2.616,1.4146;3.5333,-1.5714,-1.3954;4.096,-.3935,-2.5579;6.3284,.031,-2.96;4.0822,-1.9078,.8284;5.433,-2.3071,1.8958;7.7202,-2.6318,.9675;8.7238,-.4337,-2.5791;9.4295,-1.7837,-.6038;-5.5083,-2.303,-2.7815;-4.3575,-1.8977,-1.4995;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1755676 0.0395701 0.0378113</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.299713" y3="1.462626" z3="-1.568831">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.825219" y3="0.571508" z3="0.396103">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.848572" y3="0.087694" z3="2.489458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.298079" y3="2.111237" z3="3.663407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.418015" y3="1.413949" z3="-0.363942">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.224699" y3="1.143497" z3="2.971958">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.262462" y3="-3.746579" z3="-0.778084">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.003188" y3="-1.748547" z3="0.007554">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.223533" y3="1.73857" z3="1.134834">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.387818" y3="0.378673" z3="-0.297086">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.73942" y3="-0.383216" z3="-2.024906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.052714" y3="1.755972" z3="-1.79958">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.849635" y3="-3.85047" z3="0.648535">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.362273" y3="0.055992" z3="-3.141569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.526728" y3="1.334961" z3="-2.997249">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496055" y3="2.151953" z3="-0.066557">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.7469" y3="1.393776" z3="0.48547">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.783523" y3="0.909888" z3="1.60311">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.614426" y3="1.797695" z3="1.338436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.42155" y3="2.029353" z3="0.275975">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.9576" y3="2.160653" z3="-1.162382">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.904384" y3="2.202055" z3="0.444977">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.702541" y3="0.465395" z3="-0.668015">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.088922" y3="1.664308" z3="2.800697">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.207712" y3="-0.709078" z3="-1.515776">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.658377" y3="-1.049056" z3="-1.236597">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.064453" y3="-1.800154" z3="-0.113213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.643787" y3="-0.570721" z3="-2.10878">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566437" y3="0.671586" z3="-1.197453">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.078208" y3="-2.361284" z3="0.880982">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.428432" y3="-2.04368" z3="0.104767">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.996967" y3="-0.82799" z3="-1.892122">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.394475" y3="-1.568357" z3="-0.778888">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.440389" y3="-1.794658" z3="-1.825331">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.346459" y3="-2.497416" z3="-0.754587">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.846688" y3="-0.425881" z3="-0.582776">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.723054" y3="-4.376577" z3="0.744858">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.181862" y3="-4.234539" z3="1.324206">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.484375" y3="-4.039029" z3="-0.289334">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591101" y3="3.235746" z3="-0.164211">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.518988" y3="2.080398" z3="0.837195">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.980267" y3="3.210887" z3="-1.476355">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.650982" y3="1.623382" z3="-1.817565">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.337431" y3="2.82301" z3="-0.341371">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.152002" y3="2.609522" z3="1.420559">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.549488" y3="-1.574961" z3="-1.401604">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.111269" y3="-0.39718" z3="-2.561516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.341394" y3="0.011797" z3="-2.973864">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.094735" y3="-1.897847" z3="0.836353">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.447715" y3="-2.282905" z3="1.904014">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.736914" y3="-2.60533" z3="0.982861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.736971" y3="-0.446189" z3="-2.588537">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.444983" y3="-1.767961" z3="-0.594501">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.547987" y3="-2.279054" z3="-2.795678">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.396493" y3="-1.880634" z3="-1.50871">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2997,1.4626,-1.5688;-4.8252,.5715,.3961;.8486,.0877,2.4895;-1.2981,2.1112,3.6634;4.418,1.4139,-.3639;-3.2247,1.1435,2.972;-6.2625,-3.7466,-.7781;-7.0032,-1.7485,.0076;-.2235,1.7386,1.1348;2.3878,.3787,-.2971;-5.7394,-.3832,-2.0249;-6.0527,1.756,-1.7996;4.8496,-3.8505,.6485;-6.3623,.056,-3.1416;-6.5267,1.335,-2.9972;.4961,2.152,-.0666;1.7469,1.3938,.4855;.7835,.9099,1.6031;-1.6144,1.7977,1.3384;-2.4215,2.0294,.276;-1.9576,2.1607,-1.1624;-3.9044,2.2021,.445;3.7025,.4654,-.668;-2.0889,1.6643,2.8007;4.2077,-.7091,-1.5158;5.6584,-1.0491,-1.2366;6.0645,-1.8002,-.1132;6.6438,-.5707,-2.1088;-5.5664,.6716,-1.1975;5.0782,-2.3613,.881;7.4284,-2.0437,.1048;7.997,-.828,-1.8921;8.3945,-1.5684,-.7789;-5.4404,-1.7947,-1.8253;-6.3465,-2.4974,-.7546;1.8467,-.4259,-.5828;5.7231,-4.3766,.7449;4.1819,-4.2345,1.3242;4.4844,-4.039,-.2893;.5911,3.2357,-.1642;2.519,2.0804,.8372;-1.9803,3.2109,-1.4764;-2.651,1.6234,-1.8176;-4.3374,2.823,-.3414;-4.152,2.6095,1.4206;3.5495,-1.575,-1.4016;4.1113,-.3972,-2.5615;6.3414,.0118,-2.9739;4.0947,-1.8978,.8364;5.4477,-2.2829,1.904;7.7369,-2.6053,.9829;8.737,-.4462,-2.5885;9.445,-1.768,-.5945;-5.548,-2.2791,-2.7957;-4.3965,-1.8806,-1.5087;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1768408 0.0393399 0.0376495</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.306443" y3="1.465628" z3="-1.578593">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.831165" y3="0.554493" z3="0.393691">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.835835" y3="0.101292" z3="2.469307">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.264744" y3="2.12575" z3="3.648499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.41356" y3="1.422957" z3="-0.358609">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.193201" y3="1.153462" z3="2.982373">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.227433" y3="-3.763163" z3="-0.812889">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.979188" y3="-1.783098" z3="0.013869">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.220898" y3="1.740663" z3="1.117314">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.387244" y3="0.386388" z3="-0.309488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.771801" y3="-0.367173" z3="-2.02733">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.098024" y3="1.767916" z3="-1.763953">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.869621" y3="-3.867294" z3="0.663784">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.420094" y3="0.083237" z3="-3.124247">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.58493" y3="1.363264" z3="-2.959964">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.49733" y3="2.156526" z3="-0.081204">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.747469" y3="1.393053" z3="0.467483">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779674" y3="0.914144" z3="1.582423">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.60336" y3="1.800201" z3="1.328416">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.424356" y3="2.030024" z3="0.272283">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.96454" y3="2.160198" z3="-1.174298">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.912082" y3="2.192154" z3="0.455544">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.69656" y3="0.477054" z3="-0.673898">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.066115" y3="1.681337" z3="2.795556">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.211615" y3="-0.695831" z3="-1.501502">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.658328" y3="-1.050223" z3="-1.219061">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.063518" y3="-1.797687" z3="-0.101091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.641161" y3="-0.575659" z3="-2.097051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.593612" y3="0.671721" z3="-1.188609">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.095418" y3="-2.374016" z3="0.901714">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.43568" y3="-2.042698" z3="0.110052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.00198" y3="-0.834611" z3="-1.891454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.404117" y3="-1.569294" z3="-0.780553">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.453805" y3="-1.778694" z3="-1.854468">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.330672" y3="-2.510601" z3="-0.774467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.847137" y3="-0.423151" z3="-0.59554">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.747696" y3="-4.393385" z3="0.731987">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.218259" y3="-4.274977" z3="1.357506">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.477567" y3="-4.054589" z3="-0.266437">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.589372" y3="3.23904" z3="-0.180697">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.525698" y3="2.076876" z3="0.824897">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.99475" y3="3.208829" z3="-1.496593">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.658957" y3="1.615918" z3="-1.82071">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.34875" y3="2.817673" z3="-0.324808">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.170754" y3="2.596541" z3="1.429796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.553369" y3="-1.56434" z3="-1.376785">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.120478" y3="-0.387206" z3="-2.549113">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.333362" y3="0.001222" z3="-2.961116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.110953" y3="-1.92016" z3="0.885482">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.48839" y3="-2.288146" z3="1.904766">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.746199" y3="-2.603475" z3="0.989258">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.736417" y3="-0.46002" z3="-2.597698">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.454392" y3="-1.767157" z3="-0.596392">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.572663" y3="-2.260777" z3="-2.821868">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.404415" y3="-1.853345" z3="-1.556175">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3064,1.4656,-1.5786;-4.8312,.5545,.3937;.8358,.1013,2.4693;-1.2647,2.1258,3.6485;4.4136,1.423,-.3586;-3.1932,1.1535,2.9824;-6.2274,-3.7632,-.8129;-6.9792,-1.7831,.0139;-.2209,1.7407,1.1173;2.3872,.3864,-.3095;-5.7718,-.3672,-2.0273;-6.098,1.7679,-1.764;4.8696,-3.8673,.6638;-6.4201,.0832,-3.1242;-6.5849,1.3633,-2.96;.4973,2.1565,-.0812;1.7475,1.3931,.4675;.7797,.9141,1.5824;-1.6034,1.8002,1.3284;-2.4244,2.03,.2723;-1.9645,2.1602,-1.1743;-3.9121,2.1922,.4555;3.6966,.4771,-.6739;-2.0661,1.6813,2.7956;4.2116,-.6958,-1.5015;5.6583,-1.0502,-1.2191;6.0635,-1.7977,-.1011;6.6412,-.5757,-2.0971;-5.5936,.6717,-1.1886;5.0954,-2.374,.9017;7.4357,-2.0427,.1101;8.002,-.8346,-1.8915;8.4041,-1.5693,-.7806;-5.4538,-1.7787,-1.8545;-6.3307,-2.5106,-.7745;1.8471,-.4232,-.5955;5.7477,-4.3934,.732;4.2183,-4.275,1.3575;4.4776,-4.0546,-.2664;.5894,3.239,-.1807;2.5257,2.0769,.8249;-1.9948,3.2088,-1.4966;-2.659,1.6159,-1.8207;-4.3487,2.8177,-.3248;-4.1708,2.5965,1.4298;3.5534,-1.5643,-1.3768;4.1205,-.3872,-2.5491;6.3334,.0012,-2.9611;4.111,-1.9202,.8855;5.4884,-2.2881,1.9048;7.7462,-2.6035,.9893;8.7364,-.46,-2.5977;9.4544,-1.7672,-.5964;-5.5727,-2.2608,-2.8219;-4.4044,-1.8533,-1.5562;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1767875 0.0392465 0.0375518</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.30721" y3="1.386672" z3="-1.589336">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.833594" y3="0.550687" z3="0.39287">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.901865" y3="0.065613" z3="2.43616">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.24188" y3="2.143035" z3="3.633458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.449919" y3="1.44935" z3="-0.361787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.167105" y3="1.125211" z3="3.007555">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.476093" y3="-3.715519" z3="-0.738202">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.058904" y3="-1.694074" z3="0.115199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.202447" y3="1.713463" z3="1.104494">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.423421" y3="0.402882" z3="-0.364894">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.843715" y3="-0.377967" z3="-2.000334">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.033629" y3="1.778001" z3="-1.78868">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.840531" y3="-3.833136" z3="0.588769">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.460858" y3="0.086795" z3="-3.108588">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.553679" y3="1.374122" z3="-2.972424">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.494485" y3="2.126256" z3="-0.113978">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.762927" y3="1.395832" z3="0.433217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.81563" y3="0.890644" z3="1.555504">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.593332" y3="1.760915" z3="1.325027">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.413137" y3="1.970513" z3="0.268722">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.965608" y3="2.076185" z3="-1.179213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.887915" y3="2.165488" z3="0.452959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.746619" y3="0.501417" z3="-0.696808">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.042375" y3="1.658357" z3="2.7989">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.285614" y3="-0.651543" z3="-1.552024">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.723351" y3="-1.003844" z3="-1.214306">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.08015" y3="-1.77472" z3="-0.089553">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.746392" y3="-0.53488" z3="-2.049933">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.59686" y3="0.673205" z3="-1.18619">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.055806" y3="-2.349698" z3="0.860109">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.43368" y3="-2.044352" z3="0.168271">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.087619" y3="-0.818141" z3="-1.794968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.437146" y3="-1.579144" z3="-0.67948">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.604964" y3="-1.802661" z3="-1.808501">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.486162" y3="-2.464681" z3="-0.692185">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.907646" y3="-0.422667" z3="-0.63426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.716397" y3="-4.352379" z3="0.711048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.143155" y3="-4.241508" z3="1.218182">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.525952" y3="-3.995065" z3="-0.372483">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.562736" y3="3.210408" z3="-0.230931">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.521269" y3="2.095789" z3="0.785037">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.000219" y3="3.120688" z3="-1.511375">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.661221" y3="1.522152" z3="-1.817406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.319206" y3="2.806429" z3="-0.319999">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.117452" y3="2.556515" z3="1.438217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.623278" y3="-1.519633" z3="-1.488752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.238966" y3="-0.30743" z3="-2.591621">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.481827" y3="0.066449" z3="-2.914342">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.075373" y3="-1.882773" z3="0.782931">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.382819" y3="-2.285425" z3="1.897839">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.703206" y3="-2.621424" z3="1.0489">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.855373" y3="-0.436511" z3="-2.460566">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.476798" y3="-1.803025" z3="-0.464468">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.79179" y3="-2.282906" z3="-2.769104">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.548943" y3="-1.941177" z3="-1.557337">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3072,1.3867,-1.5893;-4.8336,.5507,.3929;.9019,.0656,2.4362;-1.2419,2.143,3.6335;4.4499,1.4493,-.3618;-3.1671,1.1252,3.0076;-6.4761,-3.7155,-.7382;-7.0589,-1.6941,.1152;-.2024,1.7135,1.1045;2.4234,.4029,-.3649;-5.8437,-.378,-2.0003;-6.0336,1.778,-1.7887;4.8405,-3.8331,.5888;-6.4609,.0868,-3.1086;-6.5537,1.3741,-2.9724;.4945,2.1263,-.114;1.7629,1.3958,.4332;.8156,.8906,1.5555;-1.5933,1.7609,1.325;-2.4131,1.9705,.2687;-1.9656,2.0762,-1.1792;-3.8879,2.1655,.453;3.7466,.5014,-.6968;-2.0424,1.6584,2.7989;4.2856,-.6515,-1.552;5.7234,-1.0038,-1.2143;6.0801,-1.7747,-.0896;6.7464,-.5349,-2.0499;-5.5969,.6732,-1.1862;5.0558,-2.3497,.8601;7.4337,-2.0444,.1683;8.0876,-.8181,-1.795;8.4371,-1.5791,-.6795;-5.605,-1.8027,-1.8085;-6.4862,-2.4647,-.6922;1.9076,-.4227,-.6343;5.7164,-4.3524,.711;4.1432,-4.2415,1.2182;4.526,-3.9951,-.3725;.5627,3.2104,-.2309;2.5213,2.0958,.785;-2.0002,3.1207,-1.5114;-2.6612,1.5222,-1.8174;-4.3192,2.8064,-.32;-4.1175,2.5565,1.4382;3.6233,-1.5196,-1.4888;4.239,-.3074,-2.5916;6.4818,.0664,-2.9143;4.0754,-1.8828,.7829;5.3828,-2.2854,1.8978;7.7032,-2.6214,1.0489;8.8554,-.4365,-2.4606;9.4768,-1.803,-.4645;-5.7918,-2.2829,-2.7691;-4.5489,-1.9412,-1.5573;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1797898 0.0387478 0.0372064</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.299902" y3="1.460685" z3="-1.569331">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.825484" y3="0.570923" z3="0.395916">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.849929" y3="0.086894" z3="2.488026">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.296651" y3="2.11182" z3="3.662722">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.418928" y3="1.414894" z3="-0.363694">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.223249" y3="1.142765" z3="2.972903">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.268297" y3="-3.745782" z3="-0.777532">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.004847" y3="-1.747047" z3="0.010176">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.223004" y3="1.737799" z3="1.134109">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.388794" y3="0.379319" z3="-0.298847">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.742264" y3="-0.382954" z3="-2.024461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.052223" y3="1.756762" z3="-1.799293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.849358" y3="-3.850084" z3="0.646854">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.364962" y3="0.057049" z3="-3.140865">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.527479" y3="1.336284" z3="-2.99664">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496012" y3="2.151257" z3="-0.067697">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.74732" y3="1.393779" z3="0.484183">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.784337" y3="0.909235" z3="1.601887">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.613906" y3="1.796599" z3="1.338134">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421348" y3="2.027746" z3="0.275831">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.957809" y3="2.158463" z3="-1.162773">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903973" y3="2.201044" z3="0.445239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.703773" y3="0.466376" z3="-0.668684">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.087751" y3="1.663931" z3="2.800702">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.209867" y3="-0.707475" z3="-1.516723">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.660208" y3="-1.047793" z3="-1.235926">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.064918" y3="-1.799491" z3="-0.112503">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.646682" y3="-0.569658" z3="-2.107081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.567286" y3="0.671732" z3="-1.197256">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.077593" y3="-2.361056" z3="0.880452">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.428629" y3="-2.043731" z3="0.106596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.999553" y3="-0.827639" z3="-1.889346">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.395732" y3="-1.568627" z3="-0.776049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.444858" y3="-1.794808" z3="-1.825224">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.350328" y3="-2.496516" z3="-0.753289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.84835" y3="-0.425798" z3="-0.584173">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.722853" y3="-4.37601" z3="0.743863">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.180731" y3="-4.234858" z3="1.321263">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.485477" y3="-4.037878" z3="-0.291713">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.590348" y3="3.235079" z3="-0.165795">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.519033" y3="2.080737" z3="0.835981">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.980781" y3="3.208571" z3="-1.477162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.651243" y3="1.62079" z3="-1.817558">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.336968" y3="2.822606" z3="-0.340707">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.151109" y3="2.607998" z3="1.421119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.551492" y3="-1.573434" z3="-1.403992">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.114808" y3="-0.394643" z3="-2.562326">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.345337" y3="0.013418" z3="-2.97215">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.094187" y3="-1.897527" z3="0.834939">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.445931" y3="-2.283114" z3="1.903921">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.736033" y3="-2.605849" z3="0.984761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.740343" y3="-0.4458" z3="-2.584898">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.445959" y3="-1.768895" z3="-0.5908">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.554591" y3="-2.279083" z3="-2.795399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.40055" y3="-1.882215" z3="-1.510351">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2999,1.4607,-1.5693;-4.8255,.5709,.3959;.8499,.0869,2.488;-1.2967,2.1118,3.6627;4.4189,1.4149,-.3637;-3.2232,1.1428,2.9729;-6.2683,-3.7458,-.7775;-7.0048,-1.747,.0102;-.223,1.7378,1.1341;2.3888,.3793,-.2988;-5.7423,-.383,-2.0245;-6.0522,1.7568,-1.7993;4.8494,-3.8501,.6469;-6.365,.057,-3.1409;-6.5275,1.3363,-2.9966;.496,2.1513,-.0677;1.7473,1.3938,.4842;.7843,.9092,1.6019;-1.6139,1.7966,1.3381;-2.4213,2.0277,.2758;-1.9578,2.1585,-1.1628;-3.904,2.201,.4452;3.7038,.4664,-.6687;-2.0878,1.6639,2.8007;4.2099,-.7075,-1.5167;5.6602,-1.0478,-1.2359;6.0649,-1.7995,-.1125;6.6467,-.5697,-2.1071;-5.5673,.6717,-1.1973;5.0776,-2.3611,.8805;7.4286,-2.0437,.1066;7.9996,-.8276,-1.8893;8.3957,-1.5686,-.776;-5.4449,-1.7948,-1.8252;-6.3503,-2.4965,-.7533;1.8483,-.4258,-.5842;5.7229,-4.376,.7439;4.1807,-4.2349,1.3213;4.4855,-4.0379,-.2917;.5903,3.2351,-.1658;2.519,2.0807,.836;-1.9808,3.2086,-1.4772;-2.6512,1.6208,-1.8176;-4.337,2.8226,-.3407;-4.1511,2.608,1.4211;3.5515,-1.5734,-1.404;4.1148,-.3946,-2.5623;6.3453,.0134,-2.9722;4.0942,-1.8975,.8349;5.4459,-2.2831,1.9039;7.736,-2.6058,.9848;8.7403,-.4458,-2.5849;9.446,-1.7689,-.5908;-5.5546,-2.2791,-2.7954;-4.4005,-1.8822,-1.5104;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1769191 0.0393231 0.0376369</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.317413" y3="1.450377" z3="-1.569336">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.796832" y3="0.566362" z3="0.437801">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.846312" y3="0.102403" z3="2.489585">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.322389" y3="2.127348" z3="3.661306">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.406581" y3="1.40818" z3="-0.381186">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.246757" y3="1.151522" z3="2.949739">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.172274" y3="-3.776921" z3="-0.844114">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.907578" y3="-1.792384" z3="0.008773">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225462" y3="1.747577" z3="1.121867">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.377433" y3="0.373467" z3="-0.309116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.686306" y3="-0.375459" z3="-1.997064">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.023905" y3="1.765429" z3="-1.752613">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.778936" y3="-3.847333" z3="0.673592">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.310904" y3="0.079006" z3="-3.114029">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.486802" y3="1.353911" z3="-2.955556">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.491016" y3="2.151359" z3="-0.082331">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.741458" y3="1.39626" z3="0.469513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.781673" y3="0.917167" z3="1.591077">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.6148" y3="1.806773" z3="1.339242">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.427471" y3="2.031859" z3="0.283625">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.973985" y3="2.15062" z3="-1.157752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.908274" y3="2.208137" z3="0.466325">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.689874" y3="0.459524" z3="-0.676689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.103513" y3="1.676574" z3="2.789915">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.201841" y3="-0.716369" z3="-1.51391">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.652556" y3="-1.048575" z3="-1.234239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.065385" y3="-1.804064" z3="-0.116047">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.630185" y3="-0.566224" z3="-2.112637">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.528697" y3="0.676113" z3="-1.16062">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.064534" y3="-2.368773" z3="0.863601">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.431523" y3="-2.04426" z3="0.099566">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.984197" y3="-0.817858" z3="-1.89984">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.389675" y3="-1.559811" z3="-0.787623">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.378688" y3="-1.791334" z3="-1.836255">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.264333" y3="-2.525073" z3="-0.782436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.834191" y3="-0.432885" z3="-0.583687">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.623217" y3="-4.410521" z3="0.774928">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.097236" y3="-4.167419" z3="1.372749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.394896" y3="-4.051556" z3="-0.249021">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.587166" y3="3.233317" z3="-0.185353">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.512624" y3="2.086991" z3="0.817548">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.001526" y3="3.195663" z3="-1.482991">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.668717" y3="1.603461" z3="-1.803639">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.350049" y3="2.817583" z3="-0.323026">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153644" y3="2.613882" z3="1.440453">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.541703" y3="-1.588288" z3="-1.402991">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.109842" y3="-0.410917" z3="-2.563359">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.322862" y3="0.014982" z3="-2.977152">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.09607" y3="-1.89419" z3="0.813568">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.426733" y3="-2.298357" z3="1.880716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.745503" y3="-2.614312" z3="0.973265">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.719185" y3="-0.433895" z3="-2.600467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.441233" y3="-1.758561" z3="-0.609722">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.491005" y3="-2.250875" z3="-2.816165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.332665" y3="-1.882842" z3="-1.528445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3174,1.4504,-1.5693;-4.7968,.5664,.4378;.8463,.1024,2.4896;-1.3224,2.1273,3.6613;4.4066,1.4082,-.3812;-3.2468,1.1515,2.9497;-6.1723,-3.7769,-.8441;-6.9076,-1.7924,.0088;-.2255,1.7476,1.1219;2.3774,.3735,-.3091;-5.6863,-.3755,-1.9971;-6.0239,1.7654,-1.7526;4.7789,-3.8473,.6736;-6.3109,.079,-3.114;-6.4868,1.3539,-2.9556;.491,2.1514,-.0823;1.7415,1.3963,.4695;.7817,.9172,1.5911;-1.6148,1.8068,1.3392;-2.4275,2.0319,.2836;-1.974,2.1506,-1.1578;-3.9083,2.2081,.4663;3.6899,.4595,-.6767;-2.1035,1.6766,2.7899;4.2018,-.7164,-1.5139;5.6526,-1.0486,-1.2342;6.0654,-1.8041,-.116;6.6302,-.5662,-2.1126;-5.5287,.6761,-1.1606;5.0645,-2.3688,.8636;7.4315,-2.0443,.0996;7.9842,-.8179,-1.8998;8.3897,-1.5598,-.7876;-5.3787,-1.7913,-1.8363;-6.2643,-2.5251,-.7824;1.8342,-.4329,-.5837;5.6232,-4.4105,.7749;4.0972,-4.1674,1.3727;4.3949,-4.0516,-.249;.5872,3.2333,-.1854;2.5126,2.087,.8175;-2.0015,3.1957,-1.483;-2.6687,1.6035,-1.8036;-4.35,2.8176,-.323;-4.1536,2.6139,1.4405;3.5417,-1.5883,-1.403;4.1098,-.4109,-2.5634;6.3229,.015,-2.9772;4.0961,-1.8942,.8136;5.4267,-2.2984,1.8807;7.7455,-2.6143,.9733;8.7192,-.4339,-2.6005;9.4412,-1.7586,-.6097;-5.491,-2.2509,-2.8162;-4.3327,-1.8828,-1.5284;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1768577 0.0397286 0.0379670</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.272173" y3="1.448884" z3="-1.547381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.823453" y3="0.566754" z3="0.367147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.834377" y3="0.065131" z3="2.517289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.323272" y3="2.095358" z3="3.671882">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.410574" y3="1.406134" z3="-0.33113">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.257902" y3="1.146419" z3="2.961975">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.309634" y3="-3.729313" z3="-0.809582">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.052526" y3="-1.723354" z3="-0.034372">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.226069" y3="1.727012" z3="1.158086">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.386268" y3="0.362157" z3="-0.248122">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753949" y3="-0.371553" z3="-2.046724">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.046783" y3="1.769117" z3="-1.820018">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.892279" y3="-3.832282" z3="0.703519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.376627" y3="0.073728" z3="-3.162017">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.531927" y3="1.353887" z3="-3.015055">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.503942" y3="2.140591" z3="-0.035091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.750406" y3="1.383584" z3="0.528273">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.780932" y3="0.899007" z3="1.637396">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.620523" y3="1.779479" z3="1.343153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.412329" y3="2.013658" z3="0.272173">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.932222" y3="2.153655" z3="-1.161315">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.893106" y3="2.190061" z3="0.429018">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.696467" y3="0.455298" z3="-0.629459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.114024" y3="1.659305" z3="2.801829">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.192893" y3="-0.71479" z3="-1.490693">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.646625" y3="-1.052074" z3="-1.243997">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.078164" y3="-1.792036" z3="-0.121277">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.61247" y3="-0.582978" z3="-2.143328">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.569714" y3="0.680195" z3="-1.222057">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.120352" y3="-2.343102" z3="0.907675">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.448312" y3="-2.034404" z3="0.064232">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.970412" y3="-0.842213" z3="-1.959817">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.394811" y3="-1.572369" z3="-0.850549">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.465943" y3="-1.785163" z3="-1.848322">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.388506" y3="-2.480281" z3="-0.786558">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.840521" y3="-0.437671" z3="-0.534288">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.770989" y3="-4.347654" z3="0.797071">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.237604" y3="-4.206676" z3="1.395376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.524073" y3="-4.039012" z3="-0.22526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.600466" y3="3.223759" z3="-0.133872">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.525254" y3="2.067503" z3="0.877464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.943426" y3="3.205649" z3="-1.468016">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.620739" y3="1.627666" z3="-1.83064">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.321453" y3="2.814485" z3="-0.357861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.160318" y3="2.595326" z3="1.398608">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.548123" y3="-1.588447" z3="-1.359928">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.07064" y3="-0.394131" z3="-2.532501">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.289505" y3="-0.008271" z3="-3.00628">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.134925" y3="-1.885223" z3="0.879586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.516204" y3="-2.242144" z3="1.916484">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.779344" y3="-2.582292" z3="0.942761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.694378" y3="-0.465836" z3="-2.675649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.449932" y3="-1.766178" z3="-0.687205">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.567363" y3="-2.267837" z3="-2.82009">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.425612" y3="-1.879728" z3="-1.5232">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2722,1.4489,-1.5474;-4.8235,.5668,.3671;.8344,.0651,2.5173;-1.3233,2.0954,3.6719;4.4106,1.4061,-.3311;-3.2579,1.1464,2.962;-6.3096,-3.7293,-.8096;-7.0525,-1.7234,-.0344;-.2261,1.727,1.1581;2.3863,.3622,-.2481;-5.7539,-.3716,-2.0467;-6.0468,1.7691,-1.82;4.8923,-3.8323,.7035;-6.3766,.0737,-3.162;-6.5319,1.3539,-3.0151;.5039,2.1406,-.0351;1.7504,1.3836,.5283;.7809,.899,1.6374;-1.6205,1.7795,1.3432;-2.4123,2.0137,.2722;-1.9322,2.1537,-1.1613;-3.8931,2.1901,.429;3.6965,.4553,-.6295;-2.114,1.6593,2.8018;4.1929,-.7148,-1.4907;5.6466,-1.0521,-1.244;6.0782,-1.792,-.1213;6.6125,-.583,-2.1433;-5.5697,.6802,-1.2221;5.1204,-2.3431,.9077;7.4483,-2.0344,.0642;7.9704,-.8422,-1.9598;8.3948,-1.5724,-.8505;-5.4659,-1.7852,-1.8483;-6.3885,-2.4803,-.7866;1.8405,-.4377,-.5343;5.771,-4.3477,.7971;4.2376,-4.2067,1.3954;4.5241,-4.039,-.2253;.6005,3.2238,-.1339;2.5253,2.0675,.8775;-1.9434,3.2056,-1.468;-2.6207,1.6277,-1.8306;-4.3215,2.8145,-.3579;-4.1603,2.5953,1.3986;3.5481,-1.5884,-1.3599;4.0706,-.3941,-2.5325;6.2895,-.0083,-3.0063;4.1349,-1.8852,.8796;5.5162,-2.2421,1.9165;7.7793,-2.5823,.9428;8.6944,-.4658,-2.6756;9.4499,-1.7662,-.6872;-5.5674,-2.2678,-2.8201;-4.4256,-1.8797,-1.5232;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1768402 0.0392196 0.0375302</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.299369" y3="1.46052" z3="-1.568947">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.825482" y3="0.570845" z3="0.395222">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.849551" y3="0.086432" z3="2.488545">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.297261" y3="2.111424" z3="3.66287">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.418791" y3="1.414735" z3="-0.362944">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.223979" y3="1.142743" z3="2.972605">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.269026" y3="-3.745464" z3="-0.778459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.005712" y3="-1.746624" z3="0.009063">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.223109" y3="1.737572" z3="1.134543">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.388752" y3="0.379015" z3="-0.297888">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.742415" y3="-0.382689" z3="-2.025103">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.052075" y3="1.757039" z3="-1.79986">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.850047" y3="-3.849818" z3="0.647907">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.365068" y3="0.057439" z3="-3.141499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.52746" y3="1.336687" z3="-2.997197">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496145" y3="2.151066" z3="-0.067074">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.747347" y3="1.393576" z3="0.485031">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.784208" y3="0.9090" z3="1.602535">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.614083" y3="1.796259" z3="1.338187">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421213" y3="2.027492" z3="0.275707">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.95733" y3="2.158412" z3="-1.162789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903812" y3="2.200844" z3="0.444845">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.703663" y3="0.466186" z3="-0.667872">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.088326" y3="1.663767" z3="2.800668">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.209623" y3="-0.707576" z3="-1.516155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.660018" y3="-1.047853" z3="-1.235905">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.065147" y3="-1.799382" z3="-0.112493">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.646175" y3="-0.569853" z3="-2.107503">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.567302" y3="0.671922" z3="-1.197906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.078285" y3="-2.360792" z3="0.881042">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.428968" y3="-2.043598" z3="0.106069">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.999132" y3="-0.827865" z3="-1.890318">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.395756" y3="-1.568698" z3="-0.777089">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.445185" y3="-1.794581" z3="-1.825909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.350998" y3="-2.496202" z3="-0.754204">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.848225" y3="-0.426001" z3="-0.583273">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.723626" y3="-4.37557" z3="0.74488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.181631" y3="-4.234428" z3="1.322587">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.486124" y3="-4.037915" z3="-0.290512">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.590526" y3="3.234879" z3="-0.165148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.519104" y3="2.080468" z3="0.836833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.98008" y3="3.208563" z3="-1.477015">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.650658" y3="1.620963" z3="-1.81787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.336695" y3="2.82248" z3="-0.341115">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.151336" y3="2.60774" z3="1.420621">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.551473" y3="-1.573673" z3="-1.403156">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.114131" y3="-0.394578" z3="-2.561694">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.344489" y3="0.013104" z3="-2.972535">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.094844" y3="-1.897356" z3="0.835805">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.447068" y3="-2.282477" z3="1.904283">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.736745" y3="-2.605495" z3="0.984244">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.739663" y3="-0.446102" z3="-2.586187">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.446065" y3="-1.768862" z3="-0.592184">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.554739" y3="-2.2788" z3="-2.796131">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.400959" y3="-1.882127" z3="-1.51082">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2994,1.4605,-1.5689;-4.8255,.5708,.3952;.8496,.0864,2.4885;-1.2973,2.1114,3.6629;4.4188,1.4147,-.3629;-3.224,1.1427,2.9726;-6.269,-3.7455,-.7785;-7.0057,-1.7466,.0091;-.2231,1.7376,1.1345;2.3888,.379,-.2979;-5.7424,-.3827,-2.0251;-6.0521,1.757,-1.7999;4.85,-3.8498,.6479;-6.3651,.0574,-3.1415;-6.5275,1.3367,-2.9972;.4961,2.1511,-.0671;1.7473,1.3936,.485;.7842,.909,1.6025;-1.6141,1.7963,1.3382;-2.4212,2.0275,.2757;-1.9573,2.1584,-1.1628;-3.9038,2.2008,.4448;3.7037,.4662,-.6679;-2.0883,1.6638,2.8007;4.2096,-.7076,-1.5162;5.66,-1.0479,-1.2359;6.0651,-1.7994,-.1125;6.6462,-.5699,-2.1075;-5.5673,.6719,-1.1979;5.0783,-2.3608,.881;7.429,-2.0436,.1061;7.9991,-.8279,-1.8903;8.3958,-1.5687,-.7771;-5.4452,-1.7946,-1.8259;-6.351,-2.4962,-.7542;1.8482,-.426,-.5833;5.7236,-4.3756,.7449;4.1816,-4.2344,1.3226;4.4861,-4.0379,-.2905;.5905,3.2349,-.1651;2.5191,2.0805,.8368;-1.9801,3.2086,-1.477;-2.6507,1.621,-1.8179;-4.3367,2.8225,-.3411;-4.1513,2.6077,1.4206;3.5515,-1.5737,-1.4032;4.1141,-.3946,-2.5617;6.3445,.0131,-2.9725;4.0948,-1.8974,.8358;5.4471,-2.2825,1.9043;7.7367,-2.6055,.9842;8.7397,-.4461,-2.5862;9.4461,-1.7689,-.5922;-5.5547,-2.2788,-2.7961;-4.401,-1.8821,-1.5108;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1769181 0.0393212 0.0376349</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.277858" y3="1.487663" z3="-1.558007">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.82625" y3="0.558309" z3="0.373863">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.825314" y3="0.059899" z3="2.497139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.314837" y3="2.112895" z3="3.657125">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.425658" y3="1.399218" z3="-0.297329">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.231433" y3="1.115989" z3="2.968781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.354737" y3="-3.724595" z3="-0.739586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.043324" y3="-1.695452" z3="0.013274">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.231004" y3="1.720313" z3="1.145375">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.386844" y3="0.381571" z3="-0.287298">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.733387" y3="-0.401852" z3="-2.041829">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-5.97912" y3="1.749152" z3="-1.853999">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.847924" y3="-3.819894" z3="0.670742">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.318931" y3="0.038469" z3="-3.178934">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.438405" y3="1.324884" z3="-3.05689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.501226" y3="2.15584" z3="-0.036678">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.74877" y3="1.387012" z3="0.513264">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.770345" y3="0.885019" z3="1.611831">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.62153" y3="1.776133" z3="1.338362">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.419369" y3="2.013463" z3="0.273172">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.943156" y3="2.17166" z3="-1.15541">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.901656" y3="2.185324" z3="0.43867">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.705875" y3="0.470252" z3="-0.648069">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.101093" y3="1.646728" z3="2.797817">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.212941" y3="-0.685831" z3="-1.518133">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.66223" y3="-1.038858" z3="-1.249145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.074189" y3="-1.789402" z3="-0.123408">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.64304" y3="-0.572322" z3="-2.128783">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.545585" y3="0.658622" z3="-1.226713">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.090698" y3="-2.329212" z3="0.887063">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.437299" y3="-2.04654" z3="0.082415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.995853" y3="-0.84536" z3="-1.92498">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.397691" y3="-1.589101" z3="-0.816633">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.473135" y3="-1.814761" z3="-1.812299">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.40266" y3="-2.473682" z3="-0.732685">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.840473" y3="-0.407355" z3="-0.604341">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.706284" y3="-4.359313" z3="0.789567">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.164448" y3="-4.186207" z3="1.338761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.490301" y3="-4.029281" z3="-0.26519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.596938" y3="3.241385" z3="-0.11314">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.521499" y3="2.062463" z3="0.885592">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.967394" y3="3.227008" z3="-1.450572">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.629622" y3="1.642932" z3="-1.825674">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.336732" y3="2.811303" z3="-0.343004">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.154863" y3="2.58168" z3="1.418672">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.538194" y3="-1.545566" z3="-1.437215">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.125284" y3="-0.342237" z3="-2.554364">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.339168" y3="0.016061" z3="-2.989596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.114494" y3="-1.85298" z3="0.852635">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.476676" y3="-2.253527" z3="1.903311">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.738951" y3="-2.62509" z3="0.954657">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.734079" y3="-0.470545" z3="-2.627458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.448022" y3="-1.802778" z3="-0.647095">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.588161" y3="-2.317075" z3="-2.772773">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.434814" y3="-1.92564" z3="-1.485518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2779,1.4877,-1.558;-4.8262,.5583,.3739;.8253,.0599,2.4971;-1.3148,2.1129,3.6571;4.4257,1.3992,-.2973;-3.2314,1.116,2.9688;-6.3547,-3.7246,-.7396;-7.0433,-1.6955,.0133;-.231,1.7203,1.1454;2.3868,.3816,-.2873;-5.7334,-.4019,-2.0418;-5.9791,1.7492,-1.854;4.8479,-3.8199,.6707;-6.3189,.0385,-3.1789;-6.4384,1.3249,-3.0569;.5012,2.1558,-.0367;1.7488,1.387,.5133;.7703,.885,1.6118;-1.6215,1.7761,1.3384;-2.4194,2.0135,.2732;-1.9432,2.1717,-1.1554;-3.9017,2.1853,.4387;3.7059,.4703,-.6481;-2.1011,1.6467,2.7978;4.2129,-.6858,-1.5181;5.6622,-1.0389,-1.2491;6.0742,-1.7894,-.1234;6.643,-.5723,-2.1288;-5.5456,.6586,-1.2267;5.0907,-2.3292,.8871;7.4373,-2.0465,.0824;7.9959,-.8454,-1.925;8.3977,-1.5891,-.8166;-5.4731,-1.8148,-1.8123;-6.4027,-2.4737,-.7327;1.8405,-.4074,-.6043;5.7063,-4.3593,.7896;4.1644,-4.1862,1.3388;4.4903,-4.0293,-.2652;.5969,3.2414,-.1131;2.5215,2.0625,.8856;-1.9674,3.227,-1.4506;-2.6296,1.6429,-1.8257;-4.3367,2.8113,-.343;-4.1549,2.5817,1.4187;3.5382,-1.5456,-1.4372;4.1253,-.3422,-2.5544;6.3392,.0161,-2.9896;4.1145,-1.853,.8526;5.4767,-2.2535,1.9033;7.739,-2.6251,.9547;8.7341,-.4705,-2.6275;9.448,-1.8028,-.6471;-5.5882,-2.3171,-2.7728;-4.4348,-1.9256,-1.4855;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1768504 0.0392965 0.0376555</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.267871" y3="1.455959" z3="-1.565474">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.83016" y3="0.60858" z3="0.391556">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.839782" y3="0.136758" z3="2.520465">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.327188" y3="2.159728" z3="3.643556">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.44331" y3="1.434832" z3="-0.272315">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.267533" y3="1.222926" z3="2.941964">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.48295" y3="-3.702365" z3="-0.539856">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.175883" y3="-1.615048" z3="0.035583">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.227599" y3="1.766114" z3="1.135257">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.406683" y3="0.414344" z3="-0.274747">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.713012" y3="-0.467053" z3="-1.990607">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-5.905421" y3="1.701266" z3="-1.93001">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.845901" y3="-3.934358" z3="0.443642">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.265561" y3="-0.071522" z3="-3.159824">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.359625" y3="1.222955" z3="-3.112828">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.502264" y3="2.171241" z3="-0.062013">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.748911" y3="1.419729" z3="0.50706">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779185" y3="0.946227" z3="1.622484">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.621817" y3="1.827395" z3="1.319914">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.41528" y3="2.040499" z3="0.243129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.935002" y3="2.146942" z3="-1.191688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.897185" y3="2.232643" z3="0.391252">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.726185" y3="0.502033" z3="-0.619063">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.116633" y3="1.718635" z3="2.777454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.23568" y3="-0.648228" z3="-1.497031">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.67795" y3="-1.007666" z3="-1.205591">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.056574" y3="-1.823202" z3="-0.117987">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.680596" y3="-0.482905" z3="-2.027675">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.509567" y3="0.634966" z3="-1.233378">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.044264" y3="-2.464343" z3="0.800999">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.416843" y3="-2.068982" z3="0.122886">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.029136" y3="-0.748172" z3="-1.792341">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.402554" y3="-1.543114" z3="-0.709282">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.507523" y3="-1.877356" z3="-1.683582">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.507741" y3="-2.451732" z3="-0.619796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.867071" y3="-0.37839" z3="-0.594576">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.726578" y3="-4.449362" z3="0.525564">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.172024" y3="-4.386311" z3="1.067874">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.511475" y3="-4.060121" z3="-0.514718">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.592647" y3="3.253967" z3="-0.174126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.51627" y3="2.112093" z3="0.859282">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.962395" y3="3.190743" z3="-1.525678">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.618291" y3="1.589001" z3="-1.840593">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.314864" y3="2.835237" z3="-0.417613">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.145871" y3="2.667052" z3="1.354749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.573941" y3="-1.513121" z3="-1.424312">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.162019" y3="-0.293999" z3="-2.531423">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.397231" y3="0.152851" z3="-2.861323">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.058726" y3="-1.999214" z3="0.762239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.392756" y3="-2.471141" z3="1.8349">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.703744" y3="-2.674404" z3="0.978362">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.784805" y3="-0.326013" z3="-2.447478">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.449361" y3="-1.751776" z3="-0.513388">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.587789" y3="-2.425453" z3="-2.622629">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.490056" y3="-1.992577" z3="-1.297886">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2679,1.456,-1.5655;-4.8302,.6086,.3916;.8398,.1368,2.5205;-1.3272,2.1597,3.6436;4.4433,1.4348,-.2723;-3.2675,1.2229,2.942;-6.4829,-3.7024,-.5399;-7.1759,-1.615,.0356;-.2276,1.7661,1.1353;2.4067,.4143,-.2747;-5.713,-.4671,-1.9906;-5.9054,1.7013,-1.93;4.8459,-3.9344,.4436;-6.2656,-.0715,-3.1598;-6.3596,1.223,-3.1128;.5023,2.1712,-.062;1.7489,1.4197,.5071;.7792,.9462,1.6225;-1.6218,1.8274,1.3199;-2.4153,2.0405,.2431;-1.935,2.1469,-1.1917;-3.8972,2.2326,.3913;3.7262,.502,-.6191;-2.1166,1.7186,2.7775;4.2357,-.6482,-1.497;5.678,-1.0077,-1.2056;6.0566,-1.8232,-.118;6.6806,-.4829,-2.0277;-5.5096,.635,-1.2334;5.0443,-2.4643,.801;7.4168,-2.069,.1229;8.0291,-.7482,-1.7923;8.4026,-1.5431,-.7093;-5.5075,-1.8774,-1.6836;-6.5077,-2.4517,-.6198;1.8671,-.3784,-.5946;5.7266,-4.4494,.5256;4.172,-4.3863,1.0679;4.5115,-4.0601,-.5147;.5926,3.254,-.1741;2.5163,2.1121,.8593;-1.9624,3.1907,-1.5257;-2.6183,1.589,-1.8406;-4.3149,2.8352,-.4176;-4.1459,2.6671,1.3547;3.5739,-1.5131,-1.4243;4.162,-.294,-2.5314;6.3972,.1529,-2.8613;4.0587,-1.9992,.7622;5.3928,-2.4711,1.8349;7.7037,-2.6744,.9784;8.7848,-.326,-2.4475;9.4494,-1.7518,-.5134;-5.5878,-2.4255,-2.6226;-4.4901,-1.9926,-1.2979;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1764408 0.0391959 0.0374898</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.279368" y3="1.463888" z3="-1.560163">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.826344" y3="0.576327" z3="0.382269">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.83747" y3="0.087111" z3="2.505681">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.315295" y3="2.119871" z3="3.6590">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.42502" y3="1.414336" z3="-0.315836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.245079" y3="1.157025" z3="2.961627">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.354107" y3="-3.727571" z3="-0.714977">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.070225" y3="-1.695412" z3="0.008084">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.226854" y3="1.73798" z3="1.143311">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.392274" y3="0.384728" z3="-0.277457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.735494" y3="-0.405982" z3="-2.026422">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-5.995894" y3="1.745571" z3="-1.851928">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.857506" y3="-3.861226" z3="0.616207">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.331374" y3="0.024866" z3="-3.161475">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.464294" y3="1.310917" z3="-3.046807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.500936" y3="2.155146" z3="-0.050257">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.748941" y3="1.396317" z3="0.508212">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.778788" y3="0.909947" z3="1.618399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.6194" y3="1.795073" z3="1.33502">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.417058" y3="2.024169" z3="0.266185">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.942031" y3="2.158225" z3="-1.167805">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.898979" y3="2.202665" z3="0.426271">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708303" y3="0.473966" z3="-0.641401">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.104825" y3="1.672163" z3="2.794623">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.213063" y3="-0.688491" z3="-1.506023">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.662067" y3="-1.036062" z3="-1.233945">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.068527" y3="-1.801051" z3="-0.118685">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.646327" y3="-0.550945" z3="-2.102241">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.54799" y3="0.661885" z3="-1.220357">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.082636" y3="-2.375369" z3="0.869847">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.43303" y3="-2.048325" z3="0.094076">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.999538" y3="-0.814765" z3="-1.892177">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.398343" y3="-1.567657" z3="-0.788432">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472646" y3="-1.819197" z3="-1.792331">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.412738" y3="-2.476659" z3="-0.721745">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.849129" y3="-0.411944" z3="-0.579838">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.730218" y3="-4.385698" z3="0.71374">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.186887" y3="-4.256145" z3="1.281451">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.5015" y3="-4.043495" z3="-0.3250">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.595163" y3="3.239056" z3="-0.146458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.520627" y3="2.08098" z3="0.864756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.96352" y3="3.208691" z3="-1.480255">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.629982" y3="1.620629" z3="-1.828784">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.327516" y3="2.821481" z3="-0.364582">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153037" y3="2.613366" z3="1.398692">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.552913" y3="-1.55479" z3="-1.406975">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.118505" y3="-0.355328" z3="-2.545728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.343627" y3="0.044996" z3="-2.958148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.100001" y3="-1.909539" z3="0.833227">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.45733" y3="-2.313656" z3="1.891479">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.739676" y3="-2.622237" z3="0.965401">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.739459" y3="-0.425549" z3="-2.584651">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.44907" y3="-1.771768" z3="-0.6099">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.574067" y3="-2.323725" z3="-2.753163">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.437106" y3="-1.921997" z3="-1.454277">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2794,1.4639,-1.5602;-4.8263,.5763,.3823;.8375,.0871,2.5057;-1.3153,2.1199,3.659;4.425,1.4143,-.3158;-3.2451,1.157,2.9616;-6.3541,-3.7276,-.715;-7.0702,-1.6954,.0081;-.2269,1.738,1.1433;2.3923,.3847,-.2775;-5.7355,-.406,-2.0264;-5.9959,1.7456,-1.8519;4.8575,-3.8612,.6162;-6.3314,.0249,-3.1615;-6.4643,1.3109,-3.0468;.5009,2.1551,-.0503;1.7489,1.3963,.5082;.7788,.9099,1.6184;-1.6194,1.7951,1.335;-2.4171,2.0242,.2662;-1.942,2.1582,-1.1678;-3.899,2.2027,.4263;3.7083,.474,-.6414;-2.1048,1.6722,2.7946;4.2131,-.6885,-1.506;5.6621,-1.0361,-1.2339;6.0685,-1.8011,-.1187;6.6463,-.5509,-2.1022;-5.548,.6619,-1.2204;5.0826,-2.3754,.8698;7.433,-2.0483,.0941;7.9995,-.8148,-1.8922;8.3983,-1.5677,-.7884;-5.4726,-1.8192,-1.7923;-6.4127,-2.4767,-.7217;1.8491,-.4119,-.5798;5.7302,-4.3857,.7137;4.1869,-4.2561,1.2815;4.5015,-4.0435,-.325;.5952,3.2391,-.1465;2.5206,2.081,.8648;-1.9635,3.2087,-1.4803;-2.63,1.6206,-1.8288;-4.3275,2.8215,-.3646;-4.153,2.6134,1.3987;3.5529,-1.5548,-1.407;4.1185,-.3553,-2.5457;6.3436,.045,-2.9581;4.1,-1.9095,.8332;5.4573,-2.3137,1.8915;7.7397,-2.6222,.9654;8.7395,-.4255,-2.5847;9.4491,-1.7718,-.6099;-5.5741,-2.3237,-2.7532;-4.4371,-1.922,-1.4543;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1767376 0.0392553 0.0375800</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.291723" y3="1.458102" z3="-1.563271">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.825123" y3="0.570226" z3="0.387865">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.845243" y3="0.081277" z3="2.496388">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.304474" y3="2.107954" z3="3.6649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.417285" y3="1.412716" z3="-0.352472">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.233311" y3="1.144325" z3="2.96957">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.284118" y3="-3.740578" z3="-0.781871">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.020998" y3="-1.737943" z3="-0.001156">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.224027" y3="1.735036" z3="1.140738">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.388407" y3="0.375405" z3="-0.284908">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.744814" y3="-0.38141" z3="-2.030265">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.047392" y3="1.759355" z3="-1.807776">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.860335" y3="-3.846548" z3="0.658913">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.365804" y3="0.059442" z3="-3.147564">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.524661" y3="1.339372" z3="-3.004446">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.498296" y3="2.148861" z3="-0.058375">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.748191" y3="1.391355" z3="0.49672">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.783124" y3="0.906595" z3="1.61177">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.615943" y3="1.792152" z3="1.339277">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.418887" y3="2.024019" z3="0.274399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.950493" y3="2.157369" z3="-1.162653">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.90102" y3="2.198415" z3="0.440097">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.702289" y3="0.464143" z3="-0.657191">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.095414" y3="1.663071" z3="2.800711">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.205949" y3="-0.708004" z3="-1.509631">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.65711" y3="-1.048059" z3="-1.237818">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.068526" y3="-1.797789" z3="-0.115054">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.63843" y3="-0.571655" z3="-2.115772">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566751" y3="0.673344" z3="-1.204942">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.088466" y3="-2.357651" z3="0.886575">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.433951" y3="-2.041779" z3="0.095356">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.992652" y3="-0.830338" z3="-1.90698">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.395953" y3="-1.569487" z3="-0.795249">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.451931" y3="-1.793853" z3="-1.829121">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.363886" y3="-2.491232" z3="-0.759796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.846478" y3="-0.427858" z3="-0.5716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.735052" y3="-4.369823" z3="0.755127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.194973" y3="-4.229435" z3="1.337075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.495876" y3="-4.038629" z3="-0.277456">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.593174" y3="3.232535" z3="-0.156428">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.520681" y3="2.077384" z3="0.848236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.970426" y3="3.208007" z3="-1.474943">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.642389" y3="1.622653" z3="-1.821503">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.332568" y3="2.820584" z3="-0.346347">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153598" y3="2.605104" z3="1.414268">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.55077" y3="-1.575922" z3="-1.393324">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.104205" y3="-0.391861" z3="-2.55398">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.331674" y3="0.010235" z3="-2.979766">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104587" y3="-1.895353" z3="0.845926">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.464055" y3="-2.27509" z3="1.906436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.747118" y3="-2.601197" z3="0.973233">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.729289" y3="-0.449333" z3="-2.607362">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.447461" y3="-1.768424" z3="-0.615813">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.559063" y3="-2.27893" z3="-2.799167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.409135" y3="-1.88407" z3="-1.510241">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2917,1.4581,-1.5633;-4.8251,.5702,.3879;.8452,.0813,2.4964;-1.3045,2.108,3.6649;4.4173,1.4127,-.3525;-3.2333,1.1443,2.9696;-6.2841,-3.7406,-.7819;-7.021,-1.7379,-.0012;-.224,1.735,1.1407;2.3884,.3754,-.2849;-5.7448,-.3814,-2.0303;-6.0474,1.7594,-1.8078;4.8603,-3.8465,.6589;-6.3658,.0594,-3.1476;-6.5247,1.3394,-3.0044;.4983,2.1489,-.0584;1.7482,1.3914,.4967;.7831,.9066,1.6118;-1.6159,1.7922,1.3393;-2.4189,2.024,.2744;-1.9505,2.1574,-1.1627;-3.901,2.1984,.4401;3.7023,.4641,-.6572;-2.0954,1.6631,2.8007;4.2059,-.708,-1.5096;5.6571,-1.0481,-1.2378;6.0685,-1.7978,-.1151;6.6384,-.5717,-2.1158;-5.5668,.6733,-1.2049;5.0885,-2.3577,.8866;7.434,-2.0418,.0954;7.9927,-.8303,-1.907;8.396,-1.5695,-.7952;-5.4519,-1.7939,-1.8291;-6.3639,-2.4912,-.7598;1.8465,-.4279,-.5716;5.7351,-4.3698,.7551;4.195,-4.2294,1.3371;4.4959,-4.0386,-.2775;.5932,3.2325,-.1564;2.5207,2.0774,.8482;-1.9704,3.208,-1.4749;-2.6424,1.6227,-1.8215;-4.3326,2.8206,-.3463;-4.1536,2.6051,1.4143;3.5508,-1.5759,-1.3933;4.1042,-.3919,-2.554;6.3317,.0102,-2.9798;4.1046,-1.8954,.8459;5.4641,-2.2751,1.9064;7.7471,-2.6012,.9732;8.7293,-.4493,-2.6074;9.4475,-1.7684,-.6158;-5.5591,-2.2789,-2.7992;-4.4091,-1.8841,-1.5102;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1768903 0.0392916 0.0376061</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.297361" y3="1.459936" z3="-1.567394">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.825387" y3="0.570675" z3="0.393343">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.848434" y3="0.084973" z3="2.490615">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.299129" y3="2.110373" z3="3.663498">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.418402" y3="1.414196" z3="-0.360155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.226415" y3="1.14305" z3="2.971879">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.273018" y3="-3.744145" z3="-0.779449">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.009747" y3="-1.744332" z3="0.006363">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.223337" y3="1.736856" z3="1.136245">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.388665" y3="0.378061" z3="-0.294467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.743061" y3="-0.38227" z3="-2.026436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.05085" y3="1.757726" z3="-1.801838">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.852737" y3="-3.849009" z3="0.650652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.365281" y3="0.058092" z3="-3.14305">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.526738" y3="1.337516" z3="-2.999012">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.49672" y3="2.150479" z3="-0.064703">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.747579" y3="1.39296" z3="0.488153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.783937" y3="0.908298" z3="1.6050">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.614559" y3="1.795127" z3="1.338557">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.420595" y3="2.026569" z3="0.275458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.955533" y3="2.15818" z3="-1.162658">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.90307" y3="2.200194" z3="0.443705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.703305" y3="0.465654" z3="-0.665059">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.09017" y3="1.663478" z3="2.800763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.208654" y3="-0.707656" z3="-1.51448">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.659255" y3="-1.047891" z3="-1.236466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.066037" y3="-1.798989" z3="-0.113251">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.644142" y3="-0.570282" z3="-2.109725">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.567164" y3="0.672349" z3="-1.199694">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.080959" y3="-2.360025" z3="0.882401">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.430285" y3="-2.04316" z3="0.103155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.997438" y3="-0.828484" z3="-1.894761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.395819" y3="-1.568917" z3="-0.781951">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.446979" y3="-1.794317" z3="-1.826781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.354406" y3="-2.49486" z3="-0.755721">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.847765" y3="-0.426482" z3="-0.580223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.726612" y3="-4.37412" z3="0.747405">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.185123" y3="-4.233188" z3="1.326239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.488667" y3="-4.038119" z3="-0.287234">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591234" y3="3.234259" z3="-0.162732">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.519533" y3="2.079611" z3="0.839901">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.97754" y3="3.208471" z3="-1.476337">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.648492" y3="1.621475" z3="-1.818747">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.335605" y3="2.822001" z3="-0.342357">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.151917" y3="2.6070" z3="1.419079">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.55128" y3="-1.574233" z3="-1.400637">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.111515" y3="-0.393791" z3="-2.559698">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.341123" y3="0.012427" z3="-2.974464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.097403" y3="-1.896882" z3="0.83839">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.451539" y3="-2.280633" z3="1.904761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.739479" y3="-2.604439" z3="0.981234">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.736946" y3="-0.446898" z3="-2.591807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.446445" y3="-1.76877" z3="-0.598493">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.555902" y3="-2.278724" z3="-2.796975">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.403125" y3="-1.882582" z3="-1.510704">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2974,1.4599,-1.5674;-4.8254,.5707,.3933;.8484,.085,2.4906;-1.2991,2.1104,3.6635;4.4184,1.4142,-.3602;-3.2264,1.143,2.9719;-6.273,-3.7441,-.7794;-7.0097,-1.7443,.0064;-.2233,1.7369,1.1362;2.3887,.3781,-.2945;-5.7431,-.3823,-2.0264;-6.0508,1.7577,-1.8018;4.8527,-3.849,.6507;-6.3653,.0581,-3.1431;-6.5267,1.3375,-2.999;.4967,2.1505,-.0647;1.7476,1.393,.4882;.7839,.9083,1.605;-1.6146,1.7951,1.3386;-2.4206,2.0266,.2755;-1.9555,2.1582,-1.1627;-3.9031,2.2002,.4437;3.7033,.4657,-.6651;-2.0902,1.6635,2.8008;4.2087,-.7077,-1.5145;5.6593,-1.0479,-1.2365;6.066,-1.799,-.1133;6.6441,-.5703,-2.1097;-5.5672,.6723,-1.1997;5.081,-2.36,.8824;7.4303,-2.0432,.1032;7.9974,-.8285,-1.8948;8.3958,-1.5689,-.782;-5.447,-1.7943,-1.8268;-6.3544,-2.4949,-.7557;1.8478,-.4265,-.5802;5.7266,-4.3741,.7474;4.1851,-4.2332,1.3262;4.4887,-4.0381,-.2872;.5912,3.2343,-.1627;2.5195,2.0796,.8399;-1.9775,3.2085,-1.4763;-2.6485,1.6215,-1.8187;-4.3356,2.822,-.3424;-4.1519,2.607,1.4191;3.5513,-1.5742,-1.4006;4.1115,-.3938,-2.5597;6.3411,.0124,-2.9745;4.0974,-1.8969,.8384;5.4515,-2.2806,1.9048;7.7395,-2.6044,.9812;8.7369,-.4469,-2.5918;9.4464,-1.7688,-.5985;-5.5559,-2.2787,-2.797;-4.4031,-1.8826,-1.5107;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1769109 0.0393133 0.0376273</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.245756" y3="1.55036" z3="-1.65127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.786331" y3="0.558314" z3="0.297083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.946099" y3="-0.012199" z3="2.379012">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.353093" y3="2.042118" z3="3.647973">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.445511" y3="1.478693" z3="-0.347792">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.228579" y3="1.112837" z3="2.860659">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.238942" y3="-3.631875" z3="-0.337266">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-6.939265" y3="-1.579784" z3="0.287612">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.17874" y3="1.706376" z3="1.094968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.433845" y3="0.401923" z3="-0.419237">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.826486" y3="-0.478746" z3="-1.974884">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.121317" y3="1.646053" z3="-1.956907">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.640625" y3="-3.865727" z3="0.383545">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.511147" y3="-0.091657" z3="-3.104314">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.667671" y3="1.16467" z3="-3.11065">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.544464" y3="2.17033" z3="-0.103117">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.798949" y3="1.38457" z3="0.408443">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.854987" y3="0.85615" z3="1.532666">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.569593" y3="1.755268" z3="1.295636">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.359826" y3="2.00937" z3="0.230778">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.912032" y3="2.205009" z3="-1.212549">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.82197" y3="2.158871" z3="0.398868">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.766581" y3="0.524532" z3="-0.713681">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.091409" y3="1.599183" z3="2.745306">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.305441" y3="-0.58799" z3="-1.582247">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.726648" y3="-0.961999" z3="-1.22186">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.016333" y3="-1.79778" z3="-0.13305">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.820112" y3="-0.441332" z3="-1.956249">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.606416" y3="0.614329" z3="-1.272792">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="4.940616" y3="-2.398988" z3="0.736312">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.356355" y3="-2.096408" z3="0.211881">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.136104" y3="-0.744833" z3="-1.624765">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.414034" y3="-1.572557" z3="-0.537461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.518396" y3="-1.856788" z3="-1.620349">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.355283" y3="-2.422051" z3="-0.432757">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.893819" y3="-0.385781" z3="-0.717327">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.443587" y3="-4.500932" z3="0.481761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="3.927281" y3="-4.189498" z3="1.024022">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.295792" y3="-4.015568" z3="-0.589176">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.635835" y3="3.260363" z3="-0.143765">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.565302" y3="2.04657" z3="0.783432">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.955583" y3="3.255263" z3="-1.49946">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.603538" y3="1.680515" z3="-1.878388">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.227858" y3="2.799725" z3="-0.363133">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.058446" y3="2.554132" z3="1.38855">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.618472" y3="-1.447764" z3="-1.555869">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.279865" y3="-0.206373" z3="-2.609607">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.611256" y3="0.207407" z3="-2.799444">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="3.991702" y3="-1.883953" z3="0.67818">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.245395" y3="-2.391363" z3="1.765982">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.567945" y3="-2.730167" z3="1.078777">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.950756" y3="-0.336345" z3="-2.211366">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.438141" y3="-1.80589" z3="-0.266875">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.678968" y3="-2.454965" z3="-2.510238">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.463557" y3="-1.916829" z3="-1.344261">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2458,1.5504,-1.6513;-4.7863,.5583,.2971;.9461,-.0122,2.379;-1.3531,2.0421,3.648;4.4455,1.4787,-.3478;-3.2286,1.1128,2.8607;-6.2389,-3.6319,-.3373;-6.9393,-1.5798,.2876;-.1787,1.7064,1.095;2.4338,.4019,-.4192;-5.8265,-.4787,-1.9749;-6.1213,1.6461,-1.9569;4.6406,-3.8657,.3835;-6.5111,-.0917,-3.1043;-6.6677,1.1647,-3.1107;.5445,2.1703,-.1031;1.7989,1.3846,.4084;.855,.8561,1.5327;-1.5696,1.7553,1.2956;-2.3598,2.0094,.2308;-1.912,2.205,-1.2125;-3.822,2.1589,.3989;3.7666,.5245,-.7137;-2.0914,1.5992,2.7453;4.3054,-.588,-1.5822;5.7266,-.962,-1.2219;6.0163,-1.7978,-.1331;6.8201,-.4413,-1.9562;-5.6064,.6143,-1.2728;4.9406,-2.399,.7363;7.3564,-2.0964,.2119;8.1361,-.7448,-1.6248;8.414,-1.5726,-.5375;-5.5184,-1.8568,-1.6203;-6.3553,-2.4221,-.4328;1.8938,-.3858,-.7173;5.4436,-4.5009,.4818;3.9273,-4.1895,1.024;4.2958,-4.0156,-.5892;.6358,3.2604,-.1438;2.5653,2.0466,.7834;-1.9556,3.2553,-1.4995;-2.6035,1.6805,-1.8784;-4.2279,2.7997,-.3631;-4.0584,2.5541,1.3885;3.6185,-1.4478,-1.5559;4.2799,-.2064,-2.6096;6.6113,.2074,-2.7994;3.9917,-1.884,.6782;5.2454,-2.3914,1.766;7.5679,-2.7302,1.0788;8.9508,-.3363,-2.2114;9.4381,-1.8059,-.2669;-5.679,-2.455,-2.5102;-4.4636,-1.9168,-1.3443;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1817578 0.0390406 0.0377508</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.309658" y3="1.479573" z3="-1.677272">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.867975" y3="0.617134" z3="0.432772">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.874387" y3="-0.023302" z3="2.321757">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.169881" y3="2.053769" z3="3.566027">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.410238" y3="1.45026" z3="-0.434965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.14258" y3="1.120541" z3="2.937289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.564905" y3="-3.65831" z3="-0.482001">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.193976" y3="-1.573076" z3="0.164629">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.20131" y3="1.676642" z3="1.021413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.417102" y3="0.357453" z3="-0.445854">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.826382" y3="-0.405765" z3="-1.913501">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.057056" y3="1.761988" z3="-1.818867">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.858419" y3="-3.971669" z3="0.434497">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.473633" y3="-0.013547" z3="-3.045929">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.568902" y3="1.275911" z3="-2.982554">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.507327" y3="2.118816" z3="-0.170178">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.761188" y3="1.360746" z3="0.365472">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.800538" y3="0.825366" z3="1.457842">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.572956" y3="1.767585" z3="1.257829">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.40618" y3="2.023373" z3="0.22101">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.969237" y3="2.161007" z3="-1.232783">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.890821" y3="2.225504" z3="0.430771">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.751872" y3="0.464563" z3="-0.751013">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.003961" y3="1.627178" z3="2.732092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.333937" y3="-0.662426" z3="-1.615917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.763008" y3="-1.010126" z3="-1.251753">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.059437" y3="-1.815989" z3="-0.126354">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.823945" y3="-0.42297" z3="-1.94693">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.613878" y3="0.688108" z3="-1.155215">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="4.989587" y3="-2.475037" z3="0.706914">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.385288" y3="-2.02136" z3="0.256337">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.148614" y3="-0.666315" z3="-1.583252">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.430476" y3="-1.469019" z3="-0.474827">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.589978" y3="-1.811947" z3="-1.619418">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.56215" y3="-2.402579" z3="-0.533414">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.901433" y3="-0.459863" z3="-0.743816">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.745996" y3="-4.448696" z3="0.637693">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.128734" y3="-4.386349" z3="1.029375">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.612484" y3="-4.165297" z3="-0.542188">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.59881" y3="3.204758" z3="-0.22817">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.524666" y3="2.04938" z3="0.74107">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-2.011523" y3="3.21184" z3="-1.540649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.672106" y3="1.622107" z3="-1.873185">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.339658" y3="2.850097" z3="-0.340872">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.106958" y3="2.618178" z3="1.42256">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.695817" y3="-1.551127" z3="-1.581406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.298757" y3="-0.289996" z3="-2.646143">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.607642" y3="0.232586" z3="-2.785966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.004002" y3="-2.072612" z3="0.559389">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.228068" y3="-2.398715" z3="1.766998">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.597898" y3="-2.607712" z3="1.146585">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.954848" y3="-0.209642" z3="-2.148849">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455013" y3="-1.632841" z3="-0.157878">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.703126" y3="-2.332201" z3="-2.5682">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.559092" y3="-1.949182" z3="-1.28166">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3097,1.4796,-1.6773;-4.868,.6171,.4328;.8744,-.0233,2.3218;-1.1699,2.0538,3.566;4.4102,1.4503,-.435;-3.1426,1.1205,2.9373;-6.5649,-3.6583,-.482;-7.194,-1.5731,.1646;-.2013,1.6766,1.0214;2.4171,.3575,-.4459;-5.8264,-.4058,-1.9135;-6.0571,1.762,-1.8189;4.8584,-3.9717,.4345;-6.4736,-.0135,-3.0459;-6.5689,1.2759,-2.9826;.5073,2.1188,-.1702;1.7612,1.3607,.3655;.8005,.8254,1.4578;-1.573,1.7676,1.2578;-2.4062,2.0234,.221;-1.9692,2.161,-1.2328;-3.8908,2.2255,.4308;3.7519,.4646,-.751;-2.004,1.6272,2.7321;4.3339,-.6624,-1.6159;5.763,-1.0101,-1.2518;6.0594,-1.816,-.1264;6.8239,-.423,-1.9469;-5.6139,.6881,-1.1552;4.9896,-2.475,.7069;7.3853,-2.0214,.2563;8.1486,-.6663,-1.5833;8.4305,-1.469,-.4748;-5.59,-1.8119,-1.6194;-6.5621,-2.4026,-.5334;1.9014,-.4599,-.7438;5.746,-4.4487,.6377;4.1287,-4.3863,1.0294;4.6125,-4.1653,-.5422;.5988,3.2048,-.2282;2.5247,2.0494,.7411;-2.0115,3.2118,-1.5406;-2.6721,1.6221,-1.8732;-4.3397,2.8501,-.3409;-4.107,2.6182,1.4226;3.6958,-1.5511,-1.5814;4.2988,-.29,-2.6461;6.6076,.2326,-2.786;4.004,-2.0726,.5594;5.2281,-2.3987,1.767;7.5979,-2.6077,1.1466;8.9548,-.2096,-2.1488;9.455,-1.6328,-.1579;-5.7031,-2.3322,-2.5682;-4.5591,-1.9492,-1.2817;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1834406 0.0384843 0.0371984</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.299486" y3="1.46261" z3="-1.567063">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.825705" y3="0.570436" z3="0.397239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.850021" y3="0.081295" z3="2.487793">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.295806" y3="2.10502" z3="3.665954">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.418824" y3="1.414779" z3="-0.361376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.223002" y3="1.13779" z3="2.97483">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.271516" y3="-3.743765" z3="-0.781095">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.00722" y3="-1.745414" z3="0.008601">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.22269" y3="1.734938" z3="1.136816">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.38897" y3="0.378676" z3="-0.29823">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.743243" y3="-0.379811" z3="-2.023949">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.052156" y3="1.75983" z3="-1.796295">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.849969" y3="-3.85252" z3="0.640336">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.366138" y3="0.061741" z3="-3.139734">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.52794" y3="1.340881" z3="-2.994012">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.49639" y3="2.15043" z3="-0.064173">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.747617" y3="1.392001" z3="0.486516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.78458" y3="0.905414" z3="1.603208">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.613507" y3="1.793646" z3="1.340928">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.420919" y3="2.026741" z3="0.279066">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.957367" y3="2.159882" z3="-1.159386">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903508" y3="2.200145" z3="0.448911">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.703997" y3="0.466475" z3="-0.667776">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.087303" y3="1.658891" z3="2.803341">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.210326" y3="-0.705687" z3="-1.518063">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.6606" y3="-1.046524" z3="-1.237893">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.065051" y3="-1.800182" z3="-0.115625">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.647306" y3="-0.566416" z3="-2.10768">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.567705" y3="0.67381" z3="-1.195624">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.077611" y3="-2.363795" z3="0.876076">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.428701" y3="-2.044487" z3="0.103569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.000139" y3="-0.824693" z3="-1.890003">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.396036" y3="-1.567695" z3="-0.777939">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.446538" y3="-1.792024" z3="-1.826289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.352789" y3="-2.494453" z3="-0.755444">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.848532" y3="-0.425955" z3="-0.584882">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.723702" y3="-4.378104" z3="0.737115">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.181164" y3="-4.238367" z3="1.313968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.486735" y3="-4.039205" z3="-0.298644">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.590815" y3="3.234406" z3="-0.16031">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.519402" y3="2.078314" z3="0.839457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.980213" y3="3.210522" z3="-1.471955">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.650873" y3="1.623479" z3="-1.815114">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.336542" y3="2.823038" z3="-0.33595">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.150678" y3="2.605463" z3="1.425454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.552257" y3="-1.572089" z3="-1.406882">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.115174" y3="-0.390654" z3="-2.563024">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.346182" y3="0.018408" z3="-2.971653">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.09411" y3="-1.900696" z3="0.830968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.445623" y3="-2.287076" z3="1.899706">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.735894" y3="-2.607915" z3="0.980966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.741142" y3="-0.441338" z3="-2.584492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.446246" y3="-1.767906" z3="-0.592533">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.556252" y3="-2.274994" z3="-2.797099">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.402367" y3="-1.880502" z3="-1.511294">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2995,1.4626,-1.5671;-4.8257,.5704,.3972;.85,.0813,2.4878;-1.2958,2.105,3.666;4.4188,1.4148,-.3614;-3.223,1.1378,2.9748;-6.2715,-3.7438,-.7811;-7.0072,-1.7454,.0086;-.2227,1.7349,1.1368;2.389,.3787,-.2982;-5.7432,-.3798,-2.0239;-6.0522,1.7598,-1.7963;4.85,-3.8525,.6403;-6.3661,.0617,-3.1397;-6.5279,1.3409,-2.994;.4964,2.1504,-.0642;1.7476,1.392,.4865;.7846,.9054,1.6032;-1.6135,1.7936,1.3409;-2.4209,2.0267,.2791;-1.9574,2.1599,-1.1594;-3.9035,2.2001,.4489;3.704,.4665,-.6678;-2.0873,1.6589,2.8033;4.2103,-.7057,-1.5181;5.6606,-1.0465,-1.2379;6.0651,-1.8002,-.1156;6.6473,-.5664,-2.1077;-5.5677,.6738,-1.1956;5.0776,-2.3638,.8761;7.4287,-2.0445,.1036;8.0001,-.8247,-1.89;8.396,-1.5677,-.7779;-5.4465,-1.792,-1.8263;-6.3528,-2.4945,-.7554;1.8485,-.426,-.5849;5.7237,-4.3781,.7371;4.1812,-4.2384,1.314;4.4867,-4.0392,-.2986;.5908,3.2344,-.1603;2.5194,2.0783,.8395;-1.9802,3.2105,-1.472;-2.6509,1.6235,-1.8151;-4.3365,2.823,-.336;-4.1507,2.6055,1.4255;3.5523,-1.5721,-1.4069;4.1152,-.3907,-2.563;6.3462,.0184,-2.9717;4.0941,-1.9007,.831;5.4456,-2.2871,1.8997;7.7359,-2.6079,.981;8.7411,-.4413,-2.5845;9.4462,-1.7679,-.5925;-5.5563,-2.275,-2.7971;-4.4024,-1.8805,-1.5113;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1769646 0.0393144 0.0376316</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.291563" y3="1.47764" z3="-1.538544">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.794373" y3="0.490397" z3="0.358922">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.917969" y3="0.109417" z3="2.514721">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.331631" y3="2.107138" z3="3.691032">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.433104" y3="1.423298" z3="-0.400929">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.16294" y3="0.995931" z3="2.95521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.472143" y3="-3.734415" z3="-0.878218">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.044156" y3="-1.710812" z3="-0.022224">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.195135" y3="1.748559" z3="1.169641">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.387635" y3="0.403891" z3="-0.313187">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.748122" y3="-0.375534" z3="-2.075869">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-5.95486" y3="1.774262" z3="-1.815016">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.863434" y3="-3.792123" z3="0.773017">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.355736" y3="0.117306" z3="-3.1795">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.464914" y3="1.40022" z3="-3.010515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.505858" y3="2.164327" z3="-0.039876">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.766182" y3="1.409786" z3="0.489965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.827056" y3="0.931468" z3="1.631964">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.588433" y3="1.770742" z3="1.361909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.406047" y3="1.99617" z3="0.303806">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.949524" y3="2.17207" z3="-1.127823">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.892144" y3="2.134538" z3="0.484432">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.707289" y3="0.479246" z3="-0.686623">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.067139" y3="1.599517" z3="2.818252">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.202909" y3="-0.711945" z3="-1.527237">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.658222" y3="-1.063854" z3="-1.279157">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.070335" y3="-1.809313" z3="-0.146896">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.630251" y3="-0.600478" z3="-2.1680">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.528431" y3="0.652397" z3="-1.229756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.111579" y3="-2.303568" z3="0.905532">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.43255" y3="-2.047971" z3="0.061543">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.986345" y3="-0.852676" z3="-1.954381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.38851" y3="-1.583435" z3="-0.837864">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.539427" y3="-1.807891" z3="-1.904164">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.460989" y3="-2.480737" z3="-0.825067">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.857085" y3="-0.430021" z3="-0.536701">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.74042" y3="-4.31953" z3="0.850807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.239047" y3="-4.126739" z3="1.520023">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.437254" y3="-4.030019" z3="-0.126801">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.596571" y3="3.248556" z3="-0.130957">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.546714" y3="2.099854" z3="0.824703">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.974861" y3="3.229285" z3="-1.420066">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.639234" y3="1.645656" z3="-1.794756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.351751" y3="2.802714" z3="-0.248417">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.13725" y3="2.479601" z3="1.485628">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.554463" y3="-1.581351" z3="-1.390774">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.082985" y3="-0.412455" z3="-2.570388">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.319834" y3="-0.023707" z3="-3.034484">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.12875" y3="-1.843991" z3="0.883991">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.529306" y3="-2.17907" z3="1.907813">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.754812" y3="-2.607067" z3="0.936204">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.723479" y3="-0.474234" z3="-2.656243">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.439384" y3="-1.791418" z3="-0.664765">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.698998" y3="-2.265099" z3="-2.878713">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.497881" y3="-1.96774" z3="-1.605862">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2916,1.4776,-1.5385;-4.7944,.4904,.3589;.918,.1094,2.5147;-1.3316,2.1071,3.691;4.4331,1.4233,-.4009;-3.1629,.9959,2.9552;-6.4721,-3.7344,-.8782;-7.0442,-1.7108,-.0222;-.1951,1.7486,1.1696;2.3876,.4039,-.3132;-5.7481,-.3755,-2.0759;-5.9549,1.7743,-1.815;4.8634,-3.7921,.773;-6.3557,.1173,-3.1795;-6.4649,1.4002,-3.0105;.5059,2.1643,-.0399;1.7662,1.4098,.49;.8271,.9315,1.632;-1.5884,1.7707,1.3619;-2.406,1.9962,.3038;-1.9495,2.1721,-1.1278;-3.8921,2.1345,.4844;3.7073,.4792,-.6866;-2.0671,1.5995,2.8183;4.2029,-.7119,-1.5272;5.6582,-1.0639,-1.2792;6.0703,-1.8093,-.1469;6.6303,-.6005,-2.168;-5.5284,.6524,-1.2298;5.1116,-2.3036,.9055;7.4325,-2.048,.0615;7.9863,-.8527,-1.9544;8.3885,-1.5834,-.8379;-5.5394,-1.8079,-1.9042;-6.461,-2.4807,-.8251;1.8571,-.43,-.5367;5.7404,-4.3195,.8508;4.239,-4.1267,1.52;4.4373,-4.03,-.1268;.5966,3.2486,-.131;2.5467,2.0999,.8247;-1.9749,3.2293,-1.4201;-2.6392,1.6457,-1.7948;-4.3518,2.8027,-.2484;-4.1372,2.4796,1.4856;3.5545,-1.5814,-1.3908;4.083,-.4125,-2.5704;6.3198,-.0237,-3.0345;4.1288,-1.844,.884;5.5293,-2.1791,1.9078;7.7548,-2.6071,.9362;8.7235,-.4742,-2.6562;9.4394,-1.7914,-.6648;-5.699,-2.2651,-2.8787;-4.4979,-1.9677,-1.6059;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1757540 0.0391856 0.0375299</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.275278" y3="1.434776" z3="-1.601061">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.812233" y3="0.573203" z3="0.308324">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.797975" y3="0.039262" z3="2.476427">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.349621" y3="2.008598" z3="3.628354">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.348021" y3="1.445639" z3="-0.55442">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.249023" y3="1.056808" z3="2.848063">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.723061" y3="-3.53992" z3="-0.432757">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.389977" y3="-1.410302" z3="0.049456">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.215501" y3="1.71963" z3="1.105218">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.407688" y3="0.283125" z3="-0.258443">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.906488" y3="-0.380691" z3="-2.028502">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-5.917965" y3="1.790548" z3="-1.949908">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="5.078303" y3="-3.977887" z3="0.55221">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.453891" y3="0.063272" z3="-3.183277">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.453779" y3="1.359825" z3="-3.118601">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.527266" y3="2.100634" z3="-0.097163">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.752426" y3="1.324766" z3="0.486658">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.759678" y3="0.8587" z3="1.582605">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.61369" y3="1.786018" z3="1.283683">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.401264" y3="2.05796" z3="0.222502">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.912598" y3="2.196655" z3="-1.207629">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.890966" y3="2.203405" z3="0.367093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.685866" y3="0.4278" z3="-0.718186">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.114287" y3="1.596846" z3="2.72941">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.246249" y3="-0.804364" z3="-1.438536">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.719869" y3="-1.010964" z3="-1.14351">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.187152" y3="-1.826905" z3="-0.092142">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.666269" y3="-0.386451" z3="-1.965563">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.562209" y3="0.692633" z3="-1.278596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.242637" y3="-2.494591" z3="0.880967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.567005" y3="-2.00886" z3="0.092852">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.03431" y3="-0.553443" z3="-1.760838">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.491603" y3="-1.375345" z3="-0.727547">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.814353" y3="-1.804891" z3="-1.73119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.755433" y3="-2.293322" z3="-0.57765">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.905745" y3="-0.573892" z3="-0.446256">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.971053" y3="-4.463965" z3="0.65915">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.406329" y3="-4.451233" z3="1.165613">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.775484" y3="-4.108955" z3="-0.415273">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.653503" y3="3.181054" z3="-0.19996">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.529883" y3="2.002543" z3="0.842332">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.881852" y3="3.251859" z3="-1.505464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.620758" y3="1.70292" z3="-1.881114">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.304748" y3="2.809963" z3="-0.438502">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.171586" y3="2.640458" z3="1.323424">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.643636" y3="-1.68678" z3="-1.208292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.1159" y3="-0.626466" z3="-2.510945">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.317057" y3="0.224808" z3="-2.791947">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.244637" y3="-2.075111" z3="0.853334">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.614608" y3="-2.451061" z3="1.904153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.915376" y3="-2.645827" z3="0.905296">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.741633" y3="-0.055002" z3="-2.416537">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.553534" y3="-1.53413" z3="-0.573291">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-6.040588" y3="-2.338233" z3="-2.654809">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.777898" y3="-2.018329" z3="-1.449874">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2753,1.4348,-1.6011;-4.8122,.5732,.3083;.798,.0393,2.4764;-1.3496,2.0086,3.6284;4.348,1.4456,-.5544;-3.249,1.0568,2.8481;-6.7231,-3.5399,-.4328;-7.39,-1.4103,.0495;-.2155,1.7196,1.1052;2.4077,.2831,-.2584;-5.9065,-.3807,-2.0285;-5.918,1.7905,-1.9499;5.0783,-3.9779,.5522;-6.4539,.0633,-3.1833;-6.4538,1.3598,-3.1186;.5273,2.1006,-.0972;1.7524,1.3248,.4867;.7597,.8587,1.5826;-1.6137,1.786,1.2837;-2.4013,2.058,.2225;-1.9126,2.1967,-1.2076;-3.891,2.2034,.3671;3.6859,.4278,-.7182;-2.1143,1.5968,2.7294;4.2462,-.8044,-1.4385;5.7199,-1.011,-1.1435;6.1872,-1.8269,-.0921;6.6663,-.3865,-1.9656;-5.5622,.6926,-1.2786;5.2426,-2.4946,.881;7.567,-2.0089,.0929;8.0343,-.5534,-1.7608;8.4916,-1.3753,-.7275;-5.8144,-1.8049,-1.7312;-6.7554,-2.2933,-.5776;1.9057,-.5739,-.4463;5.9711,-4.464,.6592;4.4063,-4.4512,1.1656;4.7755,-4.109,-.4153;.6535,3.1811,-.2;2.5299,2.0025,.8423;-1.8819,3.2519,-1.5055;-2.6208,1.7029,-1.8811;-4.3047,2.81,-.4385;-4.1716,2.6405,1.3234;3.6436,-1.6868,-1.2083;4.1159,-.6265,-2.5109;6.3171,.2248,-2.7919;4.2446,-2.0751,.8533;5.6146,-2.4511,1.9042;7.9154,-2.6458,.9053;8.7416,-.055,-2.4165;9.5535,-1.5341,-.5733;-6.0406,-2.3382,-2.6548;-4.7779,-2.0183,-1.4499;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1825564 0.0379159 0.0367925</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.28124" y3="1.416813" z3="-1.630109">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.841213" y3="0.656251" z3="0.341538">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.728801" y3="0.011803" z3="2.448917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.320897" y3="2.000966" z3="3.601523">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.332955" y3="1.432316" z3="-0.512623">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.304101" y3="1.198298" z3="2.865536">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.535969" y3="-3.544168" z3="-0.341516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.362539" y3="-1.455847" z3="0.072021">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.242392" y3="1.704669" z3="1.07158">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.406997" y3="0.254334" z3="-0.239964">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.901325" y3="-0.381454" z3="-1.979532">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.0121" y3="1.786018" z3="-1.931171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="5.077619" y3="-4.021716" z3="0.424787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.46334" y3="0.015053" z3="-3.14357">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.514271" y3="1.310491" z3="-3.100381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.519027" y3="2.083941" z3="-0.12163">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.733399" y3="1.304298" z3="0.483921">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.716977" y3="0.832016" z3="1.553611">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.637289" y3="1.807643" z3="1.260785">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.412911" y3="2.087191" z3="0.195133">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.917951" y3="2.182792" z3="-1.2408">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.898631" y3="2.267843" z3="0.32854">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.680266" y3="0.409498" z3="-0.695775">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.134114" y3="1.654338" z3="2.712701">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.248817" y3="-0.806376" z3="-1.425056">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.715487" y3="-1.000894" z3="-1.097924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.17981" y3="-1.819535" z3="-0.055111">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.671879" y3="-0.36038" z3="-1.902663">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.599775" y3="0.719669" z3="-1.247531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.2158" y3="-2.551516" z3="0.853077">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.562515" y3="-2.002595" z3="0.138209">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.037953" y3="-0.528703" z3="-1.695761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.494075" y3="-1.357639" z3="-0.666171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.722928" y3="-1.791302" z3="-1.659329">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.656712" y3="-2.309375" z3="-0.515029">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.891635" y3="-0.575676" z3="-0.489059">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.964559" y3="-4.51009" z3="0.548215">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.3741" y3="-4.535425" z3="0.956942">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.835061" y3="-4.094523" z3="-0.565828">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.649816" y3="3.163786" z3="-0.229947">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.501611" y3="1.978514" z3="0.85727">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.883741" y3="3.231216" z3="-1.558729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.630309" y3="1.679917" z3="-1.903808">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.285395" y3="2.82429" z3="-0.523346">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.178877" y3="2.762612" z3="1.255065">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.63501" y3="-1.687675" z3="-1.219038">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.143168" y3="-0.613736" z3="-2.501341">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.328287" y3="0.255529" z3="-2.727538">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.217628" y3="-2.126779" z3="0.805382">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.542999" y3="-2.558221" z3="1.889758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.899632" y3="-2.641646" z3="0.953864">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746181" y3="-0.025591" z3="-2.346265">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.55563" y3="-1.506077" z3="-0.499978">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.898813" y3="-2.354038" z3="-2.57837">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.679207" y3="-1.934337" z3="-1.364141">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2812,1.4168,-1.6301;-4.8412,.6563,.3415;.7288,.0118,2.4489;-1.3209,2.001,3.6015;4.333,1.4323,-.5126;-3.3041,1.1983,2.8655;-6.536,-3.5442,-.3415;-7.3625,-1.4558,.072;-.2424,1.7047,1.0716;2.407,.2543,-.24;-5.9013,-.3815,-1.9795;-6.0121,1.786,-1.9312;5.0776,-4.0217,.4248;-6.4633,.0151,-3.1436;-6.5143,1.3105,-3.1004;.519,2.0839,-.1216;1.7334,1.3043,.4839;.717,.832,1.5536;-1.6373,1.8076,1.2608;-2.4129,2.0872,.1951;-1.918,2.1828,-1.2408;-3.8986,2.2678,.3285;3.6803,.4095,-.6958;-2.1341,1.6543,2.7127;4.2488,-.8064,-1.4251;5.7155,-1.0009,-1.0979;6.1798,-1.8195,-.0551;6.6719,-.3604,-1.9027;-5.5998,.7197,-1.2475;5.2158,-2.5515,.8531;7.5625,-2.0026,.1382;8.038,-.5287,-1.6958;8.4941,-1.3576,-.6662;-5.7229,-1.7913,-1.6593;-6.6567,-2.3094,-.515;1.8916,-.5757,-.4891;5.9646,-4.5101,.5482;4.3741,-4.5354,.9569;4.8351,-4.0945,-.5658;.6498,3.1638,-.2299;2.5016,1.9785,.8573;-1.8837,3.2312,-1.5587;-2.6303,1.6799,-1.9038;-4.2854,2.8243,-.5233;-4.1789,2.7626,1.2551;3.635,-1.6877,-1.219;4.1432,-.6137,-2.5013;6.3283,.2555,-2.7275;4.2176,-2.1268,.8054;5.543,-2.5582,1.8898;7.8996,-2.6416,.9539;8.7462,-.0256,-2.3463;9.5556,-1.5061,-.5;-5.8988,-2.354,-2.5784;-4.6792,-1.9343,-1.3641;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1836867 0.0380561 0.0368862</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.298954" y3="1.460906" z3="-1.568786">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.826052" y3="0.569643" z3="0.392476">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.847685" y3="0.084787" z3="2.488653">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.299898" y3="2.108671" z3="3.662842">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.418337" y3="1.415558" z3="-0.360448">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.226213" y3="1.140395" z3="2.970898">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.268777" y3="-3.746136" z3="-0.783085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.006501" y3="-1.747553" z3="0.004206">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.224305" y3="1.736555" z3="1.134889">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.38869" y3="0.379029" z3="-0.29656">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.741839" y3="-0.383008" z3="-2.028621">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.051542" y3="1.75665" z3="-1.802829">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.850666" y3="-3.850022" z3="0.647658">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.36382" y3="0.05751" z3="-3.145239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.52626" y3="1.336711" z3="-3.000584">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.495629" y3="2.150743" z3="-0.066098">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746586" y3="1.393138" z3="0.486413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.782798" y3="0.907813" z3="1.603022">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.615412" y3="1.794981" z3="1.337775">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421935" y3="2.026749" z3="0.274972">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.957218" y3="2.158438" z3="-1.163197">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.904666" y3="2.199749" z3="0.443311">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.703698" y3="0.466835" z3="-0.665983">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.090476" y3="1.661568" z3="2.799904">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.210486" y3="-0.706502" z3="-1.51433">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.660845" y3="-1.046313" z3="-1.233337">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.065595" y3="-1.798553" z3="-0.110284">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.647364" y3="-0.567271" z3="-2.103969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.567069" y3="0.671335" z3="-1.200991">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.078297" y3="-2.361091" z3="0.882197">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.429381" y3="-2.042511" z3="0.108866">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.000281" y3="-0.824951" z3="-1.886181">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.396528" y3="-1.566543" z3="-0.773313">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.444743" y3="-1.79497" z3="-1.829727">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.351092" y3="-2.496898" z3="-0.758689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.848537" y3="-0.426002" z3="-0.582586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.724324" y3="-4.375571" z3="0.744916">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.181815" y3="-4.235449" z3="1.321427">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.487618" y3="-4.037427" z3="-0.291234">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.589947" y3="3.234619" z3="-0.163568">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.518015" y3="2.079956" z3="0.839054">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.979857" y3="3.208751" z3="-1.476886">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.650138" y3="1.621291" z3="-1.818959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.337131" y3="2.82157" z3="-0.342722">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.152879" y3="2.606297" z3="1.419061">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.552543" y3="-1.572833" z3="-1.401923">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.11547" y3="-0.393253" z3="-2.559844">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.345973" y3="0.016183" z3="-2.968766">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.094762" y3="-1.897899" z3="0.836635">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.446368" y3="-2.283458" z3="1.905737">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.736813" y3="-2.605023" z3="0.986776">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.741079" y3="-0.442386" z3="-2.581324">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.446795" y3="-1.766505" z3="-0.587961">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.553833" y3="-2.278897" z3="-2.800152">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.400665" y3="-1.882617" z3="-1.514172">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.299,1.4609,-1.5688;-4.8261,.5696,.3925;.8477,.0848,2.4887;-1.2999,2.1087,3.6628;4.4183,1.4156,-.3604;-3.2262,1.1404,2.9709;-6.2688,-3.7461,-.7831;-7.0065,-1.7476,.0042;-.2243,1.7366,1.1349;2.3887,.379,-.2966;-5.7418,-.383,-2.0286;-6.0515,1.7567,-1.8028;4.8507,-3.85,.6477;-6.3638,.0575,-3.1452;-6.5263,1.3367,-3.0006;.4956,2.1507,-.0661;1.7466,1.3931,.4864;.7828,.9078,1.603;-1.6154,1.795,1.3378;-2.4219,2.0267,.275;-1.9572,2.1584,-1.1632;-3.9047,2.1997,.4433;3.7037,.4668,-.666;-2.0905,1.6616,2.7999;4.2105,-.7065,-1.5143;5.6608,-1.0463,-1.2333;6.0656,-1.7986,-.1103;6.6474,-.5673,-2.104;-5.5671,.6713,-1.201;5.0783,-2.3611,.8822;7.4294,-2.0425,.1089;8.0003,-.825,-1.8862;8.3965,-1.5665,-.7733;-5.4447,-1.795,-1.8297;-6.3511,-2.4969,-.7587;1.8485,-.426,-.5826;5.7243,-4.3756,.7449;4.1818,-4.2354,1.3214;4.4876,-4.0374,-.2912;.5899,3.2346,-.1636;2.518,2.08,.8391;-1.9799,3.2088,-1.4769;-2.6501,1.6213,-1.819;-4.3371,2.8216,-.3427;-4.1529,2.6063,1.4191;3.5525,-1.5728,-1.4019;4.1155,-.3933,-2.5598;6.346,.0162,-2.9688;4.0948,-1.8979,.8366;5.4464,-2.2835,1.9057;7.7368,-2.605,.9868;8.7411,-.4424,-2.5813;9.4468,-1.7665,-.588;-5.5538,-2.2789,-2.8002;-4.4007,-1.8826,-1.5142;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1769335 0.0393179 0.0376331</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.30347" y3="1.404291" z3="-1.563722">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.856159" y3="0.582308" z3="0.319773">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.788083" y3="-0.052412" z3="2.451636">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.366943" y3="2.002159" z3="3.661444">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.386848" y3="1.38528" z3="-0.430515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.26474" y3="1.035056" z3="2.894696">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.615054" y3="-3.597358" z3="-0.713277">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.247782" y3="-1.528177" z3="-0.014995">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.237033" y3="1.662897" z3="1.137927">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.383655" y3="0.291535" z3="-0.286863">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.87409" y3="-0.309384" z3="-2.075456">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-5.983455" y3="1.855154" z3="-1.882519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="5.091046" y3="-3.857348" z3="0.770577">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.452384" y3="0.169699" z3="-3.196738">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.500674" y3="1.46193" z3="-3.070665">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.493156" y3="2.077387" z3="-0.054728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.72961" y3="1.296752" z3="0.498039">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.748671" y3="0.80331" z3="1.595192">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.629744" y3="1.735873" z3="1.321514">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.42482" y3="1.992598" z3="0.254733">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.942658" y3="2.153104" z3="-1.172319">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.90637" y3="2.193791" z3="0.412163">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.697132" y3="0.402884" z3="-0.668825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.130527" y3="1.568175" z3="2.77116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.226175" y3="-0.817555" z3="-1.440522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.70205" y3="-1.059174" z3="-1.212852">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.185947" y3="-1.79146" z3="-0.105866">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.625258" y3="-0.523523" z3="-2.115569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.590246" y3="0.738167" z3="-1.270059">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.273241" y3="-2.361198" z3="0.952399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.56603" y3="-1.968129" z3="0.05751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="7.998187" y3="-0.702178" z3="-1.943568">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.472048" y3="-1.433053" z3="-0.854524">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.70103" y3="-1.739175" z3="-1.853898">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.63334" y3="-2.343263" z3="-0.745266">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.873037" y3="-0.550835" z3="-0.517572">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.986872" y3="-4.355021" z3="0.812664">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.487429" y3="-4.250751" z3="1.502508">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.66834" y3="-4.080446" z3="-0.134212">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.599568" y3="3.160538" z3="-0.146312">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.494421" y3="1.98093" z3="0.874363">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.927557" y3="3.211195" z3="-1.460472">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645645" y3="1.655932" z3="-1.848159">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.317897" y3="2.842009" z3="-0.365092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.15861" y3="2.594851" z3="1.389952">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.623658" y3="-1.699057" z3="-1.203109">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.056689" y3="-0.609769" z3="-2.500509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.258921" y3="0.04063" z3="-2.968314">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.272291" y3="-1.940055" z3="0.951165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.692726" y3="-2.235804" z3="1.952178">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.93807" y3="-2.531533" z3="0.909999">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.692698" y3="-0.280496" z3="-2.663725">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.5366" y3="-1.594199" z3="-0.719433">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.887098" y3="-2.227783" z3="-2.809798">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.659479" y3="-1.92251" z3="-1.572794">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3035,1.4043,-1.5637;-4.8562,.5823,.3198;.7881,-.0524,2.4516;-1.3669,2.0022,3.6614;4.3868,1.3853,-.4305;-3.2647,1.0351,2.8947;-6.6151,-3.5974,-.7133;-7.2478,-1.5282,-.015;-.237,1.6629,1.1379;2.3837,.2915,-.2869;-5.8741,-.3094,-2.0755;-5.9835,1.8552,-1.8825;5.091,-3.8573,.7706;-6.4524,.1697,-3.1967;-6.5007,1.4619,-3.0707;.4932,2.0774,-.0547;1.7296,1.2968,.498;.7487,.8033,1.5952;-1.6297,1.7359,1.3215;-2.4248,1.9926,.2547;-1.9427,2.1531,-1.1723;-3.9064,2.1938,.4122;3.6971,.4029,-.6688;-2.1305,1.5682,2.7712;4.2262,-.8176,-1.4405;5.702,-1.0592,-1.2129;6.1859,-1.7915,-.1059;6.6253,-.5235,-2.1156;-5.5902,.7382,-1.2701;5.2732,-2.3612,.9524;7.566,-1.9681,.0575;7.9982,-.7022,-1.9436;8.472,-1.4331,-.8545;-5.701,-1.7392,-1.8539;-6.6333,-2.3433,-.7453;1.873,-.5508,-.5176;5.9869,-4.355,.8127;4.4874,-4.2508,1.5025;4.6683,-4.0804,-.1342;.5996,3.1605,-.1463;2.4944,1.9809,.8744;-1.9276,3.2112,-1.4605;-2.6456,1.6559,-1.8482;-4.3179,2.842,-.3651;-4.1586,2.5949,1.39;3.6237,-1.6991,-1.2031;4.0567,-.6098,-2.5005;6.2589,.0406,-2.9683;4.2723,-1.9401,.9512;5.6927,-2.2358,1.9522;7.9381,-2.5315,.91;8.6927,-.2805,-2.6637;9.5366,-1.5942,-.7194;-5.8871,-2.2278,-2.8098;-4.6595,-1.9225,-1.5728;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1820570 0.0381251 0.0368897</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.300029" y3="1.447276" z3="-1.567558">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.833755" y3="0.573467" z3="0.374484">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.833025" y3="0.050609" z3="2.479506">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.316181" y3="2.082486" z3="3.662729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.410922" y3="1.408438" z3="-0.378332">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.235703" y3="1.114452" z3="2.952205">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.357122" y3="-3.710857" z3="-0.765451">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.06895" y3="-1.693536" z3="-0.000678">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.227298" y3="1.718578" z3="1.135632">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.387485" y3="0.357469" z3="-0.294352">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.775267" y3="-0.364884" z3="-2.040292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.034979" y3="1.78281" z3="-1.822667">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.910733" y3="-3.853266" z3="0.678426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.386387" y3="0.085755" z3="-3.158136">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.52033" y3="1.369196" z3="-3.018099">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.495182" y3="2.132837" z3="-0.063295">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.742515" y3="1.369349" z3="0.489236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.774467" y3="0.881975" z3="1.601057">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.618828" y3="1.780706" z3="1.333765">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.422581" y3="2.018811" z3="0.269992">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.953664" y3="2.157745" z3="-1.165532">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.905055" y3="2.198962" z3="0.435669">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.702123" y3="0.450978" z3="-0.667083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.100197" y3="1.638673" z3="2.792938">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.213811" y3="-0.734698" z3="-1.496839">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.671372" y3="-1.049546" z3="-1.228567">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.095924" y3="-1.797031" z3="-0.109117">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.642614" y3="-0.555635" z3="-2.107091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.573264" y3="0.688812" z3="-1.218139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.1268" y3="-2.362197" z3="0.899815">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.46431" y3="-2.023731" z3="0.096665">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.001125" y3="-0.793156" z3="-1.900185">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.416743" y3="-1.532306" z3="-0.792848">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.509205" y3="-1.782381" z3="-1.835731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.423225" y3="-2.459846" z3="-0.755279">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.854235" y3="-0.457168" z3="-0.566631">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.790566" y3="-4.371495" z3="0.762234">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.257674" y3="-4.241418" z3="1.366881">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.532759" y3="-4.049404" z3="-0.25258">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.5926" y3="3.216541" z3="-0.159274">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.512402" y3="2.055471" z3="0.847783">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.966801" y3="3.21018" z3="-1.472886">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.64933" y3="1.630572" z3="-1.826355">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.33234" y3="2.827488" z3="-0.348199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.154169" y3="2.60413" z3="1.411964">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.569053" y3="-1.60634" z3="-1.353049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.099491" y3="-0.447152" z3="-2.547223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.324938" y3="0.023226" z3="-2.969216">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.13839" y3="-1.909851" z3="0.864914">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.507721" y3="-2.272778" z3="1.917934">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.787821" y3="-2.586702" z3="0.968613">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.730744" y3="-0.400304" z3="-2.601462">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.470937" y3="-1.72225" z3="-0.619587">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.63732" y3="-2.268405" z3="-2.802686">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.464852" y3="-1.893866" z3="-1.528683">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3,1.4473,-1.5676;-4.8338,.5735,.3745;.833,.0506,2.4795;-1.3162,2.0825,3.6627;4.4109,1.4084,-.3783;-3.2357,1.1145,2.9522;-6.3571,-3.7109,-.7655;-7.069,-1.6935,-.0007;-.2273,1.7186,1.1356;2.3875,.3575,-.2944;-5.7753,-.3649,-2.0403;-6.035,1.7828,-1.8227;4.9107,-3.8533,.6784;-6.3864,.0858,-3.1581;-6.5203,1.3692,-3.0181;.4952,2.1328,-.0633;1.7425,1.3693,.4892;.7745,.882,1.6011;-1.6188,1.7807,1.3338;-2.4226,2.0188,.27;-1.9537,2.1577,-1.1655;-3.9051,2.199,.4357;3.7021,.451,-.6671;-2.1002,1.6387,2.7929;4.2138,-.7347,-1.4968;5.6714,-1.0495,-1.2286;6.0959,-1.797,-.1091;6.6426,-.5556,-2.1071;-5.5733,.6888,-1.2181;5.1268,-2.3622,.8998;7.4643,-2.0237,.0967;8.0011,-.7932,-1.9002;8.4167,-1.5323,-.7928;-5.5092,-1.7824,-1.8357;-6.4232,-2.4598,-.7553;1.8542,-.4572,-.5666;5.7906,-4.3715,.7622;4.2577,-4.2414,1.3669;4.5328,-4.0494,-.2526;.5926,3.2165,-.1593;2.5124,2.0555,.8478;-1.9668,3.2102,-1.4729;-2.6493,1.6306,-1.8264;-4.3323,2.8275,-.3482;-4.1542,2.6041,1.412;3.5691,-1.6063,-1.353;4.0995,-.4472,-2.5472;6.3249,.0232,-2.9692;4.1384,-1.9099,.8649;5.5077,-2.2728,1.9179;7.7878,-2.5867,.9686;8.7307,-.4003,-2.6015;9.4709,-1.7223,-.6196;-5.6373,-2.2684,-2.8027;-4.4649,-1.8939,-1.5287;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1781646 0.0390086 0.0374426</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.29925" y3="1.457121" z3="-1.568419">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.828238" y3="0.570748" z3="0.387409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.84356" y3="0.075116" z3="2.486086">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.304471" y3="2.101252" z3="3.662856">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.416278" y3="1.413586" z3="-0.365473">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.228891" y3="1.133052" z3="2.965661">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.293785" y3="-3.736325" z3="-0.77819">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.024242" y3="-1.732401" z3="0.00277">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225143" y3="1.731493" z3="1.135126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.388354" y3="0.372976" z3="-0.295937">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.751276" y3="-0.377895" z3="-2.031935">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.046903" y3="1.764147" z3="-1.808407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.867587" y3="-3.851044" z3="0.656285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.370197" y3="0.065526" z3="-3.148898">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.524613" y3="1.345987" z3="-3.005522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.495512" y3="2.145722" z3="-0.065272">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.745446" y3="1.386442" z3="0.487233">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.780456" y3="0.900518" z3="1.602485">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616371" y3="1.790962" z3="1.336673">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.422116" y3="2.02454" z3="0.273599">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.956221" y3="2.158298" z3="-1.163829">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.904778" y3="2.199558" z3="0.44119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.703259" y3="0.462384" z3="-0.666298">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.093208" y3="1.655091" z3="2.797975">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.211387" y3="-0.714453" z3="-1.509463">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.663831" y3="-1.047207" z3="-1.232012">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.074156" y3="-1.798141" z3="-0.109957">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.646087" y3="-0.563912" z3="-2.104846">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.56884" y3="0.676322" z3="-1.205825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.091944" y3="-2.361491" z3="0.887145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439274" y3="-2.03721" z3="0.105467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.00062" y3="-0.815889" z3="-1.890084">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.402317" y3="-1.556827" z3="-0.778758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.462925" y3="-1.791494" z3="-1.831466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.371519" y3="-2.486549" z3="-0.75779">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.850115" y3="-0.434776" z3="-0.578111">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.743027" y3="-4.374509" z3="0.749773">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.203149" y3="-4.237299" z3="1.334192">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500337" y3="-4.040881" z3="-0.280431">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.590708" y3="3.229552" z3="-0.162303">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516446" y3="2.073056" z3="0.841552">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.976177" y3="3.209227" z3="-1.475718">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.649928" y3="1.623972" z3="-1.821032">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.335784" y3="2.82329" z3="-0.344226">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153242" y3="2.6057" z3="1.417102">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.557111" y3="-1.582384" z3="-1.388223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.11089" y3="-0.408382" z3="-2.556429">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.340108" y3="0.018278" z3="-2.968905">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.107001" y3="-1.901376" z3="0.844561">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.463631" y3="-2.280564" z3="1.909194">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.751227" y3="-2.599882" z3="0.981714">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.738298" y3="-0.430379" z3="-2.586937">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.453714" y3="-1.753948" z3="-0.596779">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.577356" y3="-2.276057" z3="-2.800933">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.41871" y3="-1.885856" z3="-1.5183">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2993,1.4571,-1.5684;-4.8282,.5707,.3874;.8436,.0751,2.4861;-1.3045,2.1013,3.6629;4.4163,1.4136,-.3655;-3.2289,1.1331,2.9657;-6.2938,-3.7363,-.7782;-7.0242,-1.7324,.0028;-.2251,1.7315,1.1351;2.3884,.373,-.2959;-5.7513,-.3779,-2.0319;-6.0469,1.7641,-1.8084;4.8676,-3.851,.6563;-6.3702,.0655,-3.1489;-6.5246,1.346,-3.0055;.4955,2.1457,-.0653;1.7454,1.3864,.4872;.7805,.9005,1.6025;-1.6164,1.791,1.3367;-2.4221,2.0245,.2736;-1.9562,2.1583,-1.1638;-3.9048,2.1996,.4412;3.7033,.4624,-.6663;-2.0932,1.6551,2.798;4.2114,-.7145,-1.5095;5.6638,-1.0472,-1.232;6.0742,-1.7981,-.11;6.6461,-.5639,-2.1048;-5.5688,.6763,-1.2058;5.0919,-2.3615,.8871;7.4393,-2.0372,.1055;8.0006,-.8159,-1.8901;8.4023,-1.5568,-.7788;-5.4629,-1.7915,-1.8315;-6.3715,-2.4865,-.7578;1.8501,-.4348,-.5781;5.743,-4.3745,.7498;4.2031,-4.2373,1.3342;4.5003,-4.0409,-.2804;.5907,3.2296,-.1623;2.5164,2.0731,.8416;-1.9762,3.2092,-1.4757;-2.6499,1.624,-1.821;-4.3358,2.8233,-.3442;-4.1532,2.6057,1.4171;3.5571,-1.5824,-1.3882;4.1109,-.4084,-2.5564;6.3401,.0183,-2.9689;4.107,-1.9014,.8446;5.4636,-2.2806,1.9092;7.7512,-2.5999,.9817;8.7383,-.4304,-2.5869;9.4537,-1.7539,-.5968;-5.5774,-2.2761,-2.8009;-4.4187,-1.8859,-1.5183;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772771 0.0392300 0.0375791</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.300428" y3="1.471866" z3="-1.569536">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.798218" y3="0.557113" z3="0.39709">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.854265" y3="0.098285" z3="2.474555">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.284532" y3="2.131885" z3="3.661783">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.43484" y3="1.425055" z3="-0.339153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.211185" y3="1.159549" z3="2.9786">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.273361" y3="-3.773228" z3="-0.784042">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.001031" y3="-1.776601" z3="0.015877">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.215878" y3="1.758887" z3="1.131954">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.395004" y3="0.40594" z3="-0.31384">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.731505" y3="-0.408808" z3="-2.011969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.031051" y3="1.732804" z3="-1.801327">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.814414" y3="-3.858211" z3="0.609656">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.35937" y3="0.023949" z3="-3.128174">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.513162" y3="1.305412" z3="-2.993202">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.498636" y3="2.170415" z3="-0.072595">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.752783" y3="1.414798" z3="0.474762">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.790956" y3="0.926316" z3="1.593194">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.605991" y3="1.814742" z3="1.33883">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.416994" y3="2.036127" z3="0.276585">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.957008" y3="2.169124" z3="-1.161629">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.900256" y3="2.196654" z3="0.445744">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.71626" y3="0.486348" z3="-0.665099">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.076732" y3="1.681622" z3="2.802078">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.218183" y3="-0.678106" z3="-1.528006">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.660064" y3="-1.0426" z3="-1.238079">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.042209" y3="-1.806921" z3="-0.115426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.662334" y3="-0.565844" z3="-2.091515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.546113" y3="0.650926" z3="-1.194818">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.038139" y3="-2.372699" z3="0.857579">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.401121" y3="-2.058814" z3="0.124336">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.010498" y3="-0.833816" z3="-1.855321">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.384982" y3="-1.582009" z3="-0.739817">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.427294" y3="-1.817835" z3="-1.806392">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.34677" y3="-2.523668" z3="-0.750621">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852736" y3="-0.392501" z3="-0.613014">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.685705" y3="-4.387622" z3="0.709955">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.139962" y3="-4.245906" z3="1.276504">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.457508" y3="-4.039992" z3="-0.332643">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.592115" y3="3.25405" z3="-0.174686">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.523282" y3="2.101121" z3="0.829265">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.982121" y3="3.219309" z3="-1.475263">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.652846" y3="1.631679" z3="-1.81449">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.338033" y3="2.813132" z3="-0.341543">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.152057" y3="2.601312" z3="1.420983">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.545047" y3="-1.536036" z3="-1.437078">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.138563" y3="-0.343428" z3="-2.568154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.376909" y3="0.027074" z3="-2.955468">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.054075" y3="-1.910181" z3="0.801312">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.390291" y3="-2.301389" z3="1.887483">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.69129" y3="-2.627634" z3="1.003425">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.764226" y3="-0.454912" z3="-2.538472">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.431199" y3="-1.7885" z3="-0.538857">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.516465" y3="-2.304557" z3="-2.777552">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.387545" y3="-1.896883" z3="-1.474428">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3004,1.4719,-1.5695;-4.7982,.5571,.3971;.8543,.0983,2.4746;-1.2845,2.1319,3.6618;4.4348,1.4251,-.3392;-3.2112,1.1595,2.9786;-6.2734,-3.7732,-.784;-7.001,-1.7766,.0159;-.2159,1.7589,1.132;2.395,.4059,-.3138;-5.7315,-.4088,-2.012;-6.0311,1.7328,-1.8013;4.8144,-3.8582,.6097;-6.3594,.0239,-3.1282;-6.5132,1.3054,-2.9932;.4986,2.1704,-.0726;1.7528,1.4148,.4748;.791,.9263,1.5932;-1.606,1.8147,1.3388;-2.417,2.0361,.2766;-1.957,2.1691,-1.1616;-3.9003,2.1967,.4457;3.7163,.4863,-.6651;-2.0767,1.6816,2.8021;4.2182,-.6781,-1.528;5.6601,-1.0426,-1.2381;6.0422,-1.8069,-.1154;6.6623,-.5658,-2.0915;-5.5461,.6509,-1.1948;5.0381,-2.3727,.8576;7.4011,-2.0588,.1243;8.0105,-.8338,-1.8553;8.385,-1.582,-.7398;-5.4273,-1.8178,-1.8064;-6.3468,-2.5237,-.7506;1.8527,-.3925,-.613;5.6857,-4.3876,.71;4.14,-4.2459,1.2765;4.4575,-4.04,-.3326;.5921,3.254,-.1747;2.5233,2.1011,.8293;-1.9821,3.2193,-1.4753;-2.6528,1.6317,-1.8145;-4.338,2.8131,-.3415;-4.1521,2.6013,1.421;3.545,-1.536,-1.4371;4.1386,-.3434,-2.5682;6.3769,.0271,-2.9555;4.0541,-1.9102,.8013;5.3903,-2.3014,1.8875;7.6913,-2.6276,1.0034;8.7642,-.4549,-2.5385;9.4312,-1.7885,-.5389;-5.5165,-2.3046,-2.7776;-4.3875,-1.8969,-1.4744;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1760370 0.0394647 0.0377006</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.288605" y3="1.42977" z3="-1.582683">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.839105" y3="0.574226" z3="0.380419">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.84686" y3="0.071816" z3="2.484691">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.293815" y3="2.10929" z3="3.643122">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.43281" y3="1.409591" z3="-0.320316">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.226282" y3="1.145925" z3="2.961426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.422435" y3="-3.706158" z3="-0.733467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.099245" y3="-1.67865" z3="0.035574">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.222976" y3="1.71601" z3="1.11982">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.406205" y3="0.366688" z3="-0.295471">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.807353" y3="-0.373506" z3="-2.02136">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.050068" y3="1.77569" z3="-1.815457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.888256" y3="-3.865342" z3="0.614092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.423653" y3="0.073624" z3="-3.139277">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.546225" y3="1.358164" z3="-3.005968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.499513" y3="2.126898" z3="-0.079686">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.751666" y3="1.377385" z3="0.481428">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.784931" y3="0.892172" z3="1.596292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.613531" y3="1.781204" z3="1.321391">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.417688" y3="2.005377" z3="0.256157">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.953197" y3="2.118309" z3="-1.183893">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.899131" y3="2.192709" z3="0.422725">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.725938" y3="0.461819" z3="-0.646251">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.088404" y3="1.660564" z3="2.784069">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.246421" y3="-0.699222" z3="-1.503486">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.69745" y3="-1.030921" z3="-1.218846">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.101384" y3="-1.797529" z3="-0.104903">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.685654" y3="-0.535831" z3="-2.078045">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.590636" y3="0.68365" z3="-1.207334">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.113129" y3="-2.380271" z3="0.874363">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.465642" y3="-2.030381" z3="0.122854">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.03945" y3="-0.783186" z3="-1.852841">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.435104" y3="-1.532537" z3="-0.745188">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.552292" y3="-1.791716" z3="-1.808738">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.471165" y3="-2.454614" z3="-0.723554">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.867378" y3="-0.429929" z3="-0.606492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.768337" y3="-4.384001" z3="0.682203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.240976" y3="-4.268399" z3="1.298876">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.504162" y3="-4.042466" z3="-0.31807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591357" y3="3.210698" z3="-0.181066">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.518123" y3="2.068043" z3="0.837168">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.985662" y3="3.163386" z3="-1.514047">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.641844" y3="1.565275" z3="-1.830975">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.325557" y3="2.814832" z3="-0.366124">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.143925" y3="2.605326" z3="1.397045">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.592058" y3="-1.56923" z3="-1.401741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.152879" y3="-0.376884" z3="-2.546716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.385306" y3="0.052425" z3="-2.939907">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.129235" y3="-1.917215" z3="0.835768">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.478339" y3="-2.32148" z3="1.899955">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.769697" y3="-2.602825" z3="0.995792">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.781717" y3="-0.387525" z3="-2.539089">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.485993" y3="-1.724672" z3="-0.555232">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.681936" y3="-2.283135" z3="-2.772829">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.50959" y3="-1.906453" z3="-1.496836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2886,1.4298,-1.5827;-4.8391,.5742,.3804;.8469,.0718,2.4847;-1.2938,2.1093,3.6431;4.4328,1.4096,-.3203;-3.2263,1.1459,2.9614;-6.4224,-3.7062,-.7335;-7.0992,-1.6786,.0356;-.223,1.716,1.1198;2.4062,.3667,-.2955;-5.8074,-.3735,-2.0214;-6.0501,1.7757,-1.8155;4.8883,-3.8653,.6141;-6.4237,.0736,-3.1393;-6.5462,1.3582,-3.006;.4995,2.1269,-.0797;1.7517,1.3774,.4814;.7849,.8922,1.5963;-1.6135,1.7812,1.3214;-2.4177,2.0054,.2562;-1.9532,2.1183,-1.1839;-3.8991,2.1927,.4227;3.7259,.4618,-.6463;-2.0884,1.6606,2.7841;4.2464,-.6992,-1.5035;5.6974,-1.0309,-1.2188;6.1014,-1.7975,-.1049;6.6857,-.5358,-2.078;-5.5906,.6836,-1.2073;5.1131,-2.3803,.8744;7.4656,-2.0304,.1229;8.0395,-.7832,-1.8528;8.4351,-1.5325,-.7452;-5.5523,-1.7917,-1.8087;-6.4712,-2.4546,-.7236;1.8674,-.4299,-.6065;5.7683,-4.384,.6822;4.241,-4.2684,1.2989;4.5042,-4.0425,-.3181;.5914,3.2107,-.1811;2.5181,2.068,.8372;-1.9857,3.1634,-1.514;-2.6418,1.5653,-1.831;-4.3256,2.8148,-.3661;-4.1439,2.6053,1.397;3.5921,-1.5692,-1.4017;4.1529,-.3769,-2.5467;6.3853,.0524,-2.9399;4.1292,-1.9172,.8358;5.4783,-2.3215,1.9;7.7697,-2.6028,.9958;8.7817,-.3875,-2.5391;9.486,-1.7247,-.5552;-5.6819,-2.2831,-2.7728;-4.5096,-1.9065,-1.4968;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1789638 0.0387980 0.0372325</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.295755" y3="1.450769" z3="-1.572965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.830469" y3="0.571235" z3="0.387976">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.846777" y3="0.079075" z3="2.487007">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.298755" y3="2.107481" z3="3.65686">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422633" y3="1.413506" z3="-0.348727">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.226659" y3="1.14074" z3="2.967175">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.320892" y3="-3.732517" z3="-0.767069">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.038532" y3="-1.723908" z3="0.013699">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.224011" y3="1.729337" z3="1.130348">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.394138" y3="0.374293" z3="-0.296084">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.76385" y3="-0.379261" z3="-2.026909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.050383" y3="1.763971" z3="-1.807477">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.865105" y3="-3.855033" z3="0.63849">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.383584" y3="0.06389" z3="-3.143941">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.532295" y3="1.345084" z3="-3.002907">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496836" y3="2.142585" z3="-0.070054">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.748008" y3="1.38719" z3="0.485096">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.783102" y3="0.901723" z3="1.600902">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.614968" y3="1.790013" z3="1.332612">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.42063" y3="2.019779" z3="0.269016">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.955793" y3="2.146079" z3="-1.169637">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.902962" y3="2.197547" z3="0.436725">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.710631" y3="0.464658" z3="-0.659872">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.090269" y3="1.660064" z3="2.794779">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.221866" y3="-0.70544" z3="-1.510199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.672784" y3="-1.041594" z3="-1.228693">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.078175" y3="-1.798168" z3="-0.108652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.659144" y3="-0.556815" z3="-2.096134">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.574742" y3="0.676037" z3="-1.203659">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.091391" y3="-2.367168" z3="0.880497">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.442347" y3="-2.037884" z3="0.112517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.012617" y3="-0.810364" z3="-1.876577">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.40957" y3="-1.554333" z3="-0.76562">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.481272" y3="-1.793597" z3="-1.823618">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.3920" y3="-2.482365" z3="-0.747739">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.854641" y3="-0.42861" z3="-0.589291">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741084" y3="-4.378235" z3="0.726023">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.203621" y3="-4.246047" z3="1.316453">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.494774" y3="-4.039539" z3="-0.298019">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.59052" y3="3.226439" z3="-0.168601">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.517813" y3="2.075157" z3="0.839032">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.981055" y3="3.194928" z3="-1.48809">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.647522" y3="1.604475" z3="-1.823007">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333327" y3="2.819831" z3="-0.350035">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.150145" y3="2.605856" z3="1.412089">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.565615" y3="-1.57319" z3="-1.399664">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.126401" y3="-0.390511" z3="-2.555249">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.357323" y3="0.027974" z3="-2.95987">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.107527" y3="-1.904482" z3="0.837609">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.459169" y3="-2.294902" z3="1.904477">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.749462" y3="-2.603566" z3="0.988595">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.753373" y3="-0.423205" z3="-2.569238">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.460229" y3="-1.751416" z3="-0.579426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.59764" y3="-2.279961" z3="-2.791967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.437515" y3="-1.890816" z3="-1.509651">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2958,1.4508,-1.573;-4.8305,.5712,.388;.8468,.0791,2.487;-1.2988,2.1075,3.6569;4.4226,1.4135,-.3487;-3.2267,1.1407,2.9672;-6.3209,-3.7325,-.7671;-7.0385,-1.7239,.0137;-.224,1.7293,1.1303;2.3941,.3743,-.2961;-5.7638,-.3793,-2.0269;-6.0504,1.764,-1.8075;4.8651,-3.855,.6385;-6.3836,.0639,-3.1439;-6.5323,1.3451,-3.0029;.4968,2.1426,-.0701;1.748,1.3872,.4851;.7831,.9017,1.6009;-1.615,1.79,1.3326;-2.4206,2.0198,.269;-1.9558,2.1461,-1.1696;-3.903,2.1975,.4367;3.7106,.4647,-.6599;-2.0903,1.6601,2.7948;4.2219,-.7054,-1.5102;5.6728,-1.0416,-1.2287;6.0782,-1.7982,-.1087;6.6591,-.5568,-2.0961;-5.5747,.676,-1.2037;5.0914,-2.3672,.8805;7.4423,-2.0379,.1125;8.0126,-.8104,-1.8766;8.4096,-1.5543,-.7656;-5.4813,-1.7936,-1.8236;-6.392,-2.4824,-.7477;1.8546,-.4286,-.5893;5.7411,-4.3782,.726;4.2036,-4.246,1.3165;4.4948,-4.0395,-.298;.5905,3.2264,-.1686;2.5178,2.0752,.839;-1.9811,3.1949,-1.4881;-2.6475,1.6045,-1.823;-4.3333,2.8198,-.35;-4.1501,2.6059,1.4121;3.5656,-1.5732,-1.3997;4.1264,-.3905,-2.5552;6.3573,.028,-2.9599;4.1075,-1.9045,.8376;5.4592,-2.2949,1.9045;7.7495,-2.6036,.9886;8.7534,-.4232,-2.5692;9.4602,-1.7514,-.5794;-5.5976,-2.28,-2.792;-4.4375,-1.8908,-1.5097;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1776094 0.0391401 0.0374984</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.276966" y3="1.478428" z3="-1.580924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.817992" y3="0.568502" z3="0.379626">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.851687" y3="0.071134" z3="2.467125">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302563" y3="2.068853" z3="3.65272">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.443641" y3="1.408203" z3="-0.317729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.239423" y3="1.141721" z3="2.941011">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.346214" y3="-3.738454" z3="-0.7267">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.060587" y3="-1.724084" z3="0.038825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.218208" y3="1.73474" z3="1.125564">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.401991" y3="0.39291" z3="-0.306278">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.792054" y3="-0.394638" z3="-2.012891">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.050245" y3="1.754893" z3="-1.814296">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.857818" y3="-3.859132" z3="0.611001">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.425985" y3="0.043259" z3="-3.124484">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.556244" y3="1.327257" z3="-2.996726">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.506719" y3="2.15949" z3="-0.068638">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.757136" y3="1.40152" z3="0.482474">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.788292" y3="0.903088" z3="1.589712">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.610682" y3="1.786112" z3="1.321857">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.411809" y3="2.022307" z3="0.25558">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.940282" y3="2.163689" z3="-1.178642">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.896249" y3="2.198608" z3="0.415311">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.7244" y3="0.472614" z3="-0.651926">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.0953" y3="1.645554" z3="2.780664">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.233871" y3="-0.694829" z3="-1.506686">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.682608" y3="-1.036688" z3="-1.221716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.081261" y3="-1.797527" z3="-0.101702">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.673933" y3="-0.547405" z3="-2.080777">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.579528" y3="0.667555" z3="-1.20429">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089066" y3="-2.37547" z3="0.875782">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.442939" y3="-2.04441" z3="0.122942">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.025163" y3="-0.809671" z3="-1.858787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.414147" y3="-1.562859" z3="-0.751039">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.511977" y3="-1.808292" z3="-1.803505">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.418029" y3="-2.488802" z3="-0.718655">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.861731" y3="-0.408145" z3="-0.603365">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.73034" y3="-4.389412" z3="0.692426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.187633" y3="-4.255948" z3="1.27717">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.491467" y3="-4.023289" z3="-0.331582">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.599089" y3="3.244212" z3="-0.157602">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.527851" y3="2.086382" z3="0.840916">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.967953" y3="3.215902" z3="-1.485348">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.626711" y3="1.62632" z3="-1.841229">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.325174" y3="2.809136" z3="-0.380704">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.149504" y3="2.617105" z3="1.384888">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.57488" y3="-1.561712" z3="-1.401697">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.142141" y3="-0.376048" z3="-2.550552">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.377729" y3="0.047168" z3="-2.939915">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.107276" y3="-1.908814" z3="0.837703">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.455944" y3="-2.320734" z3="1.901679">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.747433" y3="-2.609001" z3="1.000259">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.77025" y3="-0.418029" z3="-2.544206">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.463481" y3="-1.762049" z3="-0.559471">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.633848" y3="-2.298431" z3="-2.769216">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.466738" y3="-1.905996" z3="-1.494616">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.277,1.4784,-1.5809;-4.818,.5685,.3796;.8517,.0711,2.4671;-1.3026,2.0689,3.6527;4.4436,1.4082,-.3177;-3.2394,1.1417,2.941;-6.3462,-3.7385,-.7267;-7.0606,-1.7241,.0388;-.2182,1.7347,1.1256;2.402,.3929,-.3063;-5.7921,-.3946,-2.0129;-6.0502,1.7549,-1.8143;4.8578,-3.8591,.611;-6.426,.0433,-3.1245;-6.5562,1.3273,-2.9967;.5067,2.1595,-.0686;1.7571,1.4015,.4825;.7883,.9031,1.5897;-1.6107,1.7861,1.3219;-2.4118,2.0223,.2556;-1.9403,2.1637,-1.1786;-3.8962,2.1986,.4153;3.7244,.4726,-.6519;-2.0953,1.6456,2.7807;4.2339,-.6948,-1.5067;5.6826,-1.0367,-1.2217;6.0813,-1.7975,-.1017;6.6739,-.5474,-2.0808;-5.5795,.6676,-1.2043;5.0891,-2.3755,.8758;7.4429,-2.0444,.1229;8.0252,-.8097,-1.8588;8.4141,-1.5629,-.751;-5.512,-1.8083,-1.8035;-6.418,-2.4888,-.7187;1.8617,-.4081,-.6034;5.7303,-4.3894,.6924;4.1876,-4.2559,1.2772;4.4915,-4.0233,-.3316;.5991,3.2442,-.1576;2.5279,2.0864,.8409;-1.968,3.2159,-1.4853;-2.6267,1.6263,-1.8412;-4.3252,2.8091,-.3807;-4.1495,2.6171,1.3849;3.5749,-1.5617,-1.4017;4.1421,-.376,-2.5506;6.3777,.0472,-2.9399;4.1073,-1.9088,.8377;5.4559,-2.3207,1.9017;7.7474,-2.609,1.0003;8.7703,-.418,-2.5442;9.4635,-1.762,-.5595;-5.6338,-2.2984,-2.7692;-4.4667,-1.906,-1.4946;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1780294 0.0390054 0.0374097</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.279126" y3="1.455882" z3="-1.557966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.830745" y3="0.556545" z3="0.362091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.822987" y3="0.044511" z3="2.505696">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.318174" y3="2.090463" z3="3.659618">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.426672" y3="1.403264" z3="-0.310673">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.240017" y3="1.118338" z3="2.968527">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.477164" y3="-3.702345" z3="-0.776808">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.175849" y3="-1.667854" z3="-0.046672">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.230017" y3="1.708101" z3="1.149373">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.401462" y3="0.355294" z3="-0.261462">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.78785" y3="-0.375787" z3="-2.048424">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-5.988811" y3="1.779236" z3="-1.852272">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.918822" y3="-3.824059" z3="0.697619">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.37993" y3="0.081392" z3="-3.174209">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.477876" y3="1.368414" z3="-3.047311">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.503652" y3="2.128915" z3="-0.041619">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.747331" y3="1.363558" z3="0.519476">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.7679" y3="0.867603" z3="1.617998">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.622718" y3="1.768092" z3="1.339102">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.42011" y3="2.00648" z3="0.270467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.943305" y3="2.146829" z3="-1.162599">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.904028" y3="2.180783" z3="0.431539">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.717913" y3="0.453681" z3="-0.626181">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.105982" y3="1.638566" z3="2.797798">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.231492" y3="-0.700025" z3="-1.499038">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.687473" y3="-1.031665" z3="-1.234332">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.111253" y3="-1.778179" z3="-0.113679">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.656759" y3="-0.567332" z3="-2.131878">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.562225" y3="0.679025" z3="-1.234105">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.142925" y3="-2.331232" z3="0.903692">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.479458" y3="-2.023304" z3="0.077361">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.012742" y3="-0.828356" z3="-1.941623">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.429022" y3="-1.560118" z3="-0.82978">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.562319" y3="-1.798553" z3="-1.830845">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.524522" y3="-2.450871" z3="-0.777719">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.863644" y3="-0.446311" z3="-0.560988">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.795547" y3="-4.345399" z3="0.784689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.270945" y3="-4.201448" z3="1.395903">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.529174" y3="-4.028808" z3="-0.228541">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.601177" y3="3.21363" z3="-0.128415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.51817" y3="2.043148" z3="0.886048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.969029" y3="3.198501" z3="-1.4721">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.628773" y3="1.608604" z3="-1.825375">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.328843" y3="2.808152" z3="-0.353232">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.15827" y3="2.584123" z3="1.408715">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.586387" y3="-1.57584" z3="-1.402558">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.128339" y3="-0.366285" z3="-2.536887">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.34022" y3="0.010993" z3="-2.994633">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.154586" y3="-1.877235" z3="0.867914">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.531971" y3="-2.233054" z3="1.918015">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.807404" y3="-2.573595" z3="0.955296">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.739272" y3="-0.455201" z3="-2.656625">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.481906" y3="-1.765006" z3="-0.666108">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.666131" y3="-2.286527" z3="-2.799649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.533141" y3="-1.930945" z3="-1.483293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2791,1.4559,-1.558;-4.8307,.5565,.3621;.823,.0445,2.5057;-1.3182,2.0905,3.6596;4.4267,1.4033,-.3107;-3.24,1.1183,2.9685;-6.4772,-3.7023,-.7768;-7.1758,-1.6679,-.0467;-.23,1.7081,1.1494;2.4015,.3553,-.2615;-5.7878,-.3758,-2.0484;-5.9888,1.7792,-1.8523;4.9188,-3.8241,.6976;-6.3799,.0814,-3.1742;-6.4779,1.3684,-3.0473;.5037,2.1289,-.0416;1.7473,1.3636,.5195;.7679,.8676,1.618;-1.6227,1.7681,1.3391;-2.4201,2.0065,.2705;-1.9433,2.1468,-1.1626;-3.904,2.1808,.4315;3.7179,.4537,-.6262;-2.106,1.6386,2.7978;4.2315,-.7,-1.499;5.6875,-1.0317,-1.2343;6.1113,-1.7782,-.1137;6.6568,-.5673,-2.1319;-5.5622,.679,-1.2341;5.1429,-2.3312,.9037;7.4795,-2.0233,.0774;8.0127,-.8284,-1.9416;8.429,-1.5601,-.8298;-5.5623,-1.7986,-1.8308;-6.5245,-2.4509,-.7777;1.8636,-.4463,-.561;5.7955,-4.3454,.7847;4.2709,-4.2014,1.3959;4.5292,-4.0288,-.2285;.6012,3.2136,-.1284;2.5182,2.0431,.886;-1.969,3.1985,-1.4721;-2.6288,1.6086,-1.8254;-4.3288,2.8082,-.3532;-4.1583,2.5841,1.4087;3.5864,-1.5758,-1.4026;4.1283,-.3663,-2.5369;6.3402,.011,-2.9946;4.1546,-1.8772,.8679;5.532,-2.2331,1.918;7.8074,-2.5736,.9553;8.7393,-.4552,-2.6566;9.4819,-1.765,-.6661;-5.6661,-2.2865,-2.7996;-4.5331,-1.9309,-1.4833;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1777753 0.0387884 0.0372098</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.293475" y3="1.457416" z3="-1.566311">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.828487" y3="0.566821" z3="0.382687">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.840007" y3="0.07084" z3="2.492259">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.305779" y3="2.101653" z3="3.661415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.420535" y3="1.411689" z3="-0.347336">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.230596" y3="1.132596" z3="2.968484">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.337036" y3="-3.731016" z3="-0.777988">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.060253" y3="-1.720228" z3="-0.007968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225976" y3="1.726856" z3="1.138289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.392655" y3="0.370676" z3="-0.28714">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.759332" y3="-0.37927" z3="-2.034384">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.033823" y3="1.766015" z3="-1.81777">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.87493" y3="-3.844281" z3="0.661699">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.372386" y3="0.066923" z3="-3.153559">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.514029" y3="1.349064" z3="-3.014356">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.497858" y3="2.14272" z3="-0.059858">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746675" y3="1.382886" z3="0.4952">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.778316" y3="0.894539" z3="1.606623">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.617522" y3="1.786256" z3="1.337308">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421353" y3="2.020046" z3="0.272815">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.953151" y3="2.153949" z3="-1.163893">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.904325" y3="2.194556" z3="0.438997">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708203" y3="0.462036" z3="-0.654904">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.095241" y3="1.653549" z3="2.798319">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217694" y3="-0.706771" z3="-1.508555">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.670192" y3="-1.042072" z3="-1.232792">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.081568" y3="-1.793098" z3="-0.111067">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.65105" y3="-0.564888" z3="-2.110711">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.567347" y3="0.675493" z3="-1.211202">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.100681" y3="-2.35427" z3="0.888817">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.446991" y3="-2.035481" z3="0.099897">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.005354" y3="-0.821346" z3="-1.900802">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.408454" y3="-1.560587" z3="-0.788904">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.485181" y3="-1.795137" z3="-1.829611">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.407576" y3="-2.480809" z3="-0.761832">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.853712" y3="-0.433958" z3="-0.576563">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.750178" y3="-4.36789" z3="0.753937">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.213688" y3="-4.228616" z3="1.343623">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.502758" y3="-4.036454" z3="-0.273047">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.593191" y3="3.226813" z3="-0.154518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.517643" y3="2.067902" z3="0.852139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.97618" y3="3.204624" z3="-1.476544">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.644214" y3="1.616765" z3="-1.821604">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.334124" y3="2.818457" z3="-0.346603">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.154034" y3="2.600339" z3="1.41514">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.564334" y3="-1.57627" z3="-1.398066">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.118952" y3="-0.389896" z3="-2.552458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.344346" y3="0.017112" z3="-2.974606">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.115458" y3="-1.894362" z3="0.847015">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.475264" y3="-2.271113" z3="1.909661">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.761003" y3="-2.595328" z3="0.977127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.741583" y3="-0.439782" z3="-2.601328">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.459821" y3="-1.760698" z3="-0.610108">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.59529" y3="-2.28045" z3="-2.799176">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.444739" y3="-1.89773" z3="-1.506551">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2935,1.4574,-1.5663;-4.8285,.5668,.3827;.84,.0708,2.4923;-1.3058,2.1017,3.6614;4.4205,1.4117,-.3473;-3.2306,1.1326,2.9685;-6.337,-3.731,-.778;-7.0603,-1.7202,-.008;-.226,1.7269,1.1383;2.3927,.3707,-.2871;-5.7593,-.3793,-2.0344;-6.0338,1.766,-1.8178;4.8749,-3.8443,.6617;-6.3724,.0669,-3.1536;-6.514,1.3491,-3.0144;.4979,2.1427,-.0599;1.7467,1.3829,.4952;.7783,.8945,1.6066;-1.6175,1.7863,1.3373;-2.4214,2.02,.2728;-1.9532,2.1539,-1.1639;-3.9043,2.1946,.439;3.7082,.462,-.6549;-2.0952,1.6535,2.7983;4.2177,-.7068,-1.5086;5.6702,-1.0421,-1.2328;6.0816,-1.7931,-.1111;6.651,-.5649,-2.1107;-5.5673,.6755,-1.2112;5.1007,-2.3543,.8888;7.447,-2.0355,.0999;8.0054,-.8213,-1.9008;8.4085,-1.5606,-.7889;-5.4852,-1.7951,-1.8296;-6.4076,-2.4808,-.7618;1.8537,-.434,-.5766;5.7502,-4.3679,.7539;4.2137,-4.2286,1.3436;4.5028,-4.0365,-.273;.5932,3.2268,-.1545;2.5176,2.0679,.8521;-1.9762,3.2046,-1.4765;-2.6442,1.6168,-1.8216;-4.3341,2.8185,-.3466;-4.154,2.6003,1.4151;3.5643,-1.5763,-1.3981;4.119,-.3899,-2.5525;6.3443,.0171,-2.9746;4.1155,-1.8944,.847;5.4753,-2.2711,1.9097;7.761,-2.5953,.9771;8.7416,-.4398,-2.6013;9.4598,-1.7607,-.6101;-5.5953,-2.2805,-2.7992;-4.4447,-1.8977,-1.5066;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1773163 0.0391308 0.0374894</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.29447" y3="1.457951" z3="-1.572326">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.825929" y3="0.570224" z3="0.38736">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.845615" y3="0.082502" z3="2.487453">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.3014" y3="2.108285" z3="3.65738">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.424286" y3="1.413119" z3="-0.345788">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.229049" y3="1.143038" z3="2.964743">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.321898" y3="-3.737085" z3="-0.767737">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.034595" y3="-1.727991" z3="0.01596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.224182" y3="1.733663" z3="1.131515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.393278" y3="0.377808" z3="-0.295297">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.760756" y3="-0.383862" z3="-2.02552">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.046103" y3="1.760199" z3="-1.809454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.86659" y3="-3.858766" z3="0.636486">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.383507" y3="0.057916" z3="-3.141586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.531043" y3="1.339376" z3="-3.002956">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.497525" y3="2.147867" z3="-0.06827">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.74785" y3="1.390661" z3="0.486376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.782389" y3="0.905132" z3="1.601318">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.615353" y3="1.792722" z3="1.332593">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.42027" y3="2.024161" z3="0.268578">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954162" y3="2.153583" z3="-1.169275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903083" y3="2.199131" z3="0.434915">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.710384" y3="0.466098" z3="-0.658029">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.092174" y3="1.661834" z3="2.794373">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.220018" y3="-0.703515" z3="-1.509716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.670766" y3="-1.042198" z3="-1.229193">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075602" y3="-1.799798" z3="-0.109766">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.657536" y3="-0.556503" z3="-2.095912">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.571248" y3="0.672605" z3="-1.203987">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.088491" y3="-2.370166" z3="0.87825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439587" y3="-2.040793" z3="0.111062">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.010637" y3="-0.812306" z3="-1.877346">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.40688" y3="-1.558102" z3="-0.767248">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.47787" y3="-1.798104" z3="-1.821316">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389837" y3="-2.486814" z3="-0.746581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.854467" y3="-0.426974" z3="-0.584749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.742489" y3="-4.381521" z3="0.728503">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.201221" y3="-4.249921" z3="1.310356">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.501785" y3="-4.043383" z3="-0.302292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591757" y3="3.231746" z3="-0.165508">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.517912" y3="2.078022" z3="0.841196">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.978456" y3="3.203161" z3="-1.485355">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645752" y3="1.61386" z3="-1.824348">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333691" y3="2.818751" z3="-0.353854">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.152161" y3="2.609705" z3="1.40887">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.562524" y3="-1.570625" z3="-1.400917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.125077" y3="-0.386578" z3="-2.554082">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.3561" y3="0.031016" z3="-2.957968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.103379" y3="-1.910094" z3="0.834333">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.455175" y3="-2.296414" z3="1.902574">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.747343" y3="-2.60592" z3="0.987284">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.751668" y3="-0.424632" z3="-2.569407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.457373" y3="-1.755814" z3="-0.580749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.592554" y3="-2.284832" z3="-2.789654">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.43451" y3="-1.894638" z3="-1.50595">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2945,1.458,-1.5723;-4.8259,.5702,.3874;.8456,.0825,2.4875;-1.3014,2.1083,3.6574;4.4243,1.4131,-.3458;-3.229,1.143,2.9647;-6.3219,-3.7371,-.7677;-7.0346,-1.728,.016;-.2242,1.7337,1.1315;2.3933,.3778,-.2953;-5.7608,-.3839,-2.0255;-6.0461,1.7602,-1.8095;4.8666,-3.8588,.6365;-6.3835,.0579,-3.1416;-6.531,1.3394,-3.003;.4975,2.1479,-.0683;1.7478,1.3907,.4864;.7824,.9051,1.6013;-1.6154,1.7927,1.3326;-2.4203,2.0242,.2686;-1.9542,2.1536,-1.1693;-3.9031,2.1991,.4349;3.7104,.4661,-.658;-2.0922,1.6618,2.7944;4.22,-.7035,-1.5097;5.6708,-1.0422,-1.2292;6.0756,-1.7998,-.1098;6.6575,-.5565,-2.0959;-5.5712,.6726,-1.204;5.0885,-2.3702,.8782;7.4396,-2.0408,.1111;8.0106,-.8123,-1.8773;8.4069,-1.5581,-.7672;-5.4779,-1.7981,-1.8213;-6.3898,-2.4868,-.7466;1.8545,-.427,-.5847;5.7425,-4.3815,.7285;4.2012,-4.2499,1.3104;4.5018,-4.0434,-.3023;.5918,3.2317,-.1655;2.5179,2.078,.8412;-1.9785,3.2032,-1.4854;-2.6458,1.6139,-1.8243;-4.3337,2.8188,-.3539;-4.1522,2.6097,1.4089;3.5625,-1.5706,-1.4009;4.1251,-.3866,-2.5541;6.3561,.031,-2.958;4.1034,-1.9101,.8343;5.4552,-2.2964,1.9026;7.7473,-2.6059,.9873;8.7517,-.4246,-2.5694;9.4574,-1.7558,-.5807;-5.5926,-2.2848,-2.7897;-4.4345,-1.8946,-1.5059;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1773505 0.0391615 0.0375089</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.297281" y3="1.452882" z3="-1.569103">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.828094" y3="0.571668" z3="0.388038">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.844284" y3="0.083018" z3="2.490397">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.299739" y3="2.111037" z3="3.660269">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.421283" y3="1.413525" z3="-0.349644">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.230258" y3="1.149977" z3="2.969978">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.309751" y3="-3.73796" z3="-0.771759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.030959" y3="-1.730838" z3="0.008735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225293" y3="1.734036" z3="1.133973">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391774" y3="0.375819" z3="-0.291911">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.754143" y3="-0.382959" z3="-2.027982">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.043343" y3="1.760544" z3="-1.812066">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.865136" y3="-3.857015" z3="0.640162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.374987" y3="0.058236" z3="-3.145373">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.524743" y3="1.339423" z3="-3.006862">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.495687" y3="2.145624" z3="-0.067053">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746399" y3="1.389569" z3="0.488456">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.781069" y3="0.905248" z3="1.604059">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616324" y3="1.794376" z3="1.335748">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421609" y3="2.02438" z3="0.271522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.955862" y3="2.151432" z3="-1.16655">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.904296" y3="2.200105" z3="0.438043">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.707519" y3="0.465479" z3="-0.659138">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.092241" y3="1.665786" z3="2.798198">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.216524" y3="-0.705149" z3="-1.509993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.667748" y3="-1.043324" z3="-1.230695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.074156" y3="-1.799331" z3="-0.110703">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.65321" y3="-0.558154" z3="-2.099111">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.567993" y3="0.67361" z3="-1.205793">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.088304" y3="-2.36823" z3="0.87938">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.438392" y3="-2.040652" z3="0.10806">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.006638" y3="-0.813469" z3="-1.881987">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.404383" y3="-1.558666" z3="-0.772031">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.469111" y3="-1.796822" z3="-1.824171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.381832" y3="-2.487998" z3="-0.751622">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852686" y3="-0.429059" z3="-0.580632">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.740245" y3="-4.380542" z3="0.734957">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.197927" y3="-4.245823" z3="1.313711">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.501865" y3="-4.043827" z3="-0.298905">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.590226" y3="3.229298" z3="-0.166566">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516275" y3="2.077982" z3="0.841695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.978468" y3="3.200711" z3="-1.483726">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.648336" y3="1.612026" z3="-1.820966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.334964" y3="2.82176" z3="-0.349149">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.152888" y3="2.608494" z3="1.4130">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.559925" y3="-1.572776" z3="-1.399718">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.120337" y3="-0.389666" z3="-2.554658">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350576" y3="0.02822" z3="-2.96152">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.103219" y3="-1.907944" z3="0.835922">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.456255" y3="-2.293884" z3="1.903337">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.747213" y3="-2.606126" z3="0.983622">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.74676" y3="-0.426478" z3="-2.575416">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455165" y3="-1.756491" z3="-0.587236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.580747" y3="-2.282692" z3="-2.793283">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.426268" y3="-1.891601" z3="-1.506599">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2973,1.4529,-1.5691;-4.8281,.5717,.388;.8443,.083,2.4904;-1.2997,2.111,3.6603;4.4213,1.4135,-.3496;-3.2303,1.15,2.97;-6.3098,-3.738,-.7718;-7.031,-1.7308,.0087;-.2253,1.734,1.134;2.3918,.3758,-.2919;-5.7541,-.383,-2.028;-6.0433,1.7605,-1.8121;4.8651,-3.857,.6402;-6.375,.0582,-3.1454;-6.5247,1.3394,-3.0069;.4957,2.1456,-.0671;1.7464,1.3896,.4885;.7811,.9052,1.6041;-1.6163,1.7944,1.3357;-2.4216,2.0244,.2715;-1.9559,2.1514,-1.1665;-3.9043,2.2001,.438;3.7075,.4655,-.6591;-2.0922,1.6658,2.7982;4.2165,-.7051,-1.51;5.6677,-1.0433,-1.2307;6.0742,-1.7993,-.1107;6.6532,-.5582,-2.0991;-5.568,.6736,-1.2058;5.0883,-2.3682,.8794;7.4384,-2.0407,.1081;8.0066,-.8135,-1.882;8.4044,-1.5587,-.772;-5.4691,-1.7968,-1.8242;-6.3818,-2.488,-.7516;1.8527,-.4291,-.5806;5.7402,-4.3805,.735;4.1979,-4.2458,1.3137;4.5019,-4.0438,-.2989;.5902,3.2293,-.1666;2.5163,2.078,.8417;-1.9785,3.2007,-1.4837;-2.6483,1.612,-1.821;-4.335,2.8218,-.3491;-4.1529,2.6085,1.413;3.5599,-1.5728,-1.3997;4.1203,-.3897,-2.5547;6.3506,.0282,-2.9615;4.1032,-1.9079,.8359;5.4563,-2.2939,1.9033;7.7472,-2.6061,.9836;8.7468,-.4265,-2.5754;9.4552,-1.7565,-.5872;-5.5807,-2.2827,-2.7933;-4.4263,-1.8916,-1.5066;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1771713 0.0392039 0.0375365</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.29582" y3="1.455122" z3="-1.569428">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.826451" y3="0.570783" z3="0.387823">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.844081" y3="0.083575" z3="2.490886">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.301744" y3="2.110704" z3="3.659747">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.421191" y3="1.412952" z3="-0.349908">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.230201" y3="1.146834" z3="2.967939">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.30259" y3="-3.740314" z3="-0.778863">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.020435" y3="-1.736512" z3="0.013287">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.22508" y3="1.734354" z3="1.133952">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391533" y3="0.375614" z3="-0.291541">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.756813" y3="-0.381226" z3="-2.027734">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.049545" y3="1.761269" z3="-1.806924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.865338" y3="-3.85602" z3="0.643264">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.380704" y3="0.06097" z3="-3.143005">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.53264" y3="1.341575" z3="-3.001545">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496537" y3="2.146728" z3="-0.066454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746755" y3="1.389738" z3="0.488886">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.781138" y3="0.905626" z3="1.60429">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616201" y3="1.794181" z3="1.335021">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421085" y3="2.024752" z3="0.270708">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954962" y3="2.152513" z3="-1.16715">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903877" y3="2.199878" z3="0.436891">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.70733" y3="0.464753" z3="-0.658702">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.092945" y3="1.664531" z3="2.797016">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.215751" y3="-0.706063" z3="-1.509549">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.666961" y3="-1.044265" z3="-1.230937">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.073767" y3="-1.799304" z3="-0.110461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.65205" y3="-0.560378" z3="-2.10049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.570832" y3="0.674052" z3="-1.203825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.088452" y3="-2.367064" z3="0.880851">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.438109" y3="-2.040492" z3="0.10783">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.00554" y3="-0.815834" z3="-1.883936">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.403742" y3="-1.559716" z3="-0.773294">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.467853" y3="-1.794853" z3="-1.82775">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.37506" y3="-2.490451" z3="-0.753507">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852515" y3="-0.429921" z3="-0.578537">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741038" y3="-4.37897" z3="0.736164">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200335" y3="-4.244674" z3="1.319003">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.499395" y3="-4.043566" z3="-0.29455">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591291" y3="3.23045" z3="-0.165131">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.517149" y3="2.077362" z3="0.842541">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.978349" y3="3.201821" z3="-1.484178">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.646892" y3="1.612672" z3="-1.821791">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.334669" y3="2.82058" z3="-0.350958">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.152973" y3="2.609053" z3="1.41142">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.558861" y3="-1.573315" z3="-1.398542">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.118979" y3="-0.390738" z3="-2.554211">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.349041" y3="0.025202" z3="-2.963301">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.103376" y3="-1.906818" z3="0.837692">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.457231" y3="-2.291381" z3="1.904385">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.747368" y3="-2.60473" z3="0.984005">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.74534" y3="-0.429758" z3="-2.578213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.454576" y3="-1.757386" z3="-0.588659">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.581699" y3="-2.27927" z3="-2.797308">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.423698" y3="-1.887834" z3="-1.51388">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2958,1.4551,-1.5694;-4.8265,.5708,.3878;.8441,.0836,2.4909;-1.3017,2.1107,3.6597;4.4212,1.413,-.3499;-3.2302,1.1468,2.9679;-6.3026,-3.7403,-.7789;-7.0204,-1.7365,.0133;-.2251,1.7344,1.134;2.3915,.3756,-.2915;-5.7568,-.3812,-2.0277;-6.0495,1.7613,-1.8069;4.8653,-3.856,.6433;-6.3807,.061,-3.143;-6.5326,1.3416,-3.0015;.4965,2.1467,-.0665;1.7468,1.3897,.4889;.7811,.9056,1.6043;-1.6162,1.7942,1.335;-2.4211,2.0248,.2707;-1.955,2.1525,-1.1671;-3.9039,2.1999,.4369;3.7073,.4648,-.6587;-2.0929,1.6645,2.797;4.2158,-.7061,-1.5095;5.667,-1.0443,-1.2309;6.0738,-1.7993,-.1105;6.6521,-.5604,-2.1005;-5.5708,.6741,-1.2038;5.0885,-2.3671,.8809;7.4381,-2.0405,.1078;8.0055,-.8158,-1.8839;8.4037,-1.5597,-.7733;-5.4679,-1.7949,-1.8277;-6.3751,-2.4905,-.7535;1.8525,-.4299,-.5785;5.741,-4.379,.7362;4.2003,-4.2447,1.319;4.4994,-4.0436,-.2945;.5913,3.2304,-.1651;2.5171,2.0774,.8425;-1.9783,3.2018,-1.4842;-2.6469,1.6127,-1.8218;-4.3347,2.8206,-.351;-4.153,2.6091,1.4114;3.5589,-1.5733,-1.3985;4.119,-.3907,-2.5542;6.349,.0252,-2.9633;4.1034,-1.9068,.8377;5.4572,-2.2914,1.9044;7.7474,-2.6047,.984;8.7453,-.4298,-2.5782;9.4546,-1.7574,-.5887;-5.5817,-2.2793,-2.7973;-4.4237,-1.8878,-1.5139;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1771721 0.0392097 0.0375412</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.27278" y3="1.490768" z3="-1.587408">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.804434" y3="0.553769" z3="0.384892">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.879674" y3="0.060476" z3="2.457345">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.309045" y3="2.13759" z3="3.649933">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.465453" y3="1.454835" z3="-0.301781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.216775" y3="1.131187" z3="2.959792">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.302731" y3="-3.767912" z3="-0.73283">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.001158" y3="-1.747514" z3="0.033065">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.208285" y3="1.719474" z3="1.12092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.434128" y3="0.408457" z3="-0.298143">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.744491" y3="-0.42004" z3="-2.014735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.045218" y3="1.73512" z3="-1.816466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.779827" y3="-3.82117" z3="0.610894">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.372596" y3="0.014981" z3="-3.133133">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.534681" y3="1.296318" z3="-3.002281">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.51039" y3="2.151108" z3="-0.065639">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.766018" y3="1.399885" z3="0.481608">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.804837" y3="0.887638" z3="1.582192">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.597906" y3="1.775786" z3="1.327693">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.406581" y3="2.012683" z3="0.26753">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.943966" y3="2.16347" z3="-1.170977">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.890995" y3="2.190051" z3="0.436742">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.756234" y3="0.518774" z3="-0.645718">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.080615" y3="1.655908" z3="2.78644">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.24678" y3="-0.641419" z3="-1.520644">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.669663" y3="-1.023253" z3="-1.233674">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.035619" y3="-1.802812" z3="-0.115818">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.672092" y3="-0.545978" z3="-2.082083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.559859" y3="0.651088" z3="-1.204308">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.02843" y3="-2.347001" z3="0.863159">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.390846" y3="-2.085804" z3="0.102974">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.015538" y3="-0.838191" z3="-1.853761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.379268" y3="-1.613147" z3="-0.755124">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.458127" y3="-1.83686" z3="-1.803358">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.361194" y3="-2.516198" z3="-0.719277">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.9048" y3="-0.395908" z3="-0.612508">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.640233" y3="-4.375315" z3="0.720461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.091846" y3="-4.185775" z3="1.277717">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.419408" y3="-3.985405" z3="-0.326642">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.600264" y3="3.235305" z3="-0.145768">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.527127" y3="2.098818" z3="0.841708">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.972705" y3="3.217982" z3="-1.467951">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.632231" y3="1.632629" z3="-1.836751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.325135" y3="2.822361" z3="-0.341404">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.138778" y3="2.600856" z3="1.41185">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.57369" y3="-1.491348" z3="-1.424232">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.155254" y3="-0.315159" z3="-2.563122">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.397581" y3="0.055373" z3="-2.943285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.059802" y3="-1.852785" z3="0.806194">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.394071" y3="-2.28763" z3="1.889217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.671199" y3="-2.673619" z3="0.964268">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.773374" y3="-0.461898" z3="-2.533759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.423808" y3="-1.836363" z3="-0.563628">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.579772" y3="-2.327918" z3="-2.76633">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.415547" y3="-1.939481" z3="-1.484719">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2728,1.4908,-1.5874;-4.8044,.5538,.3849;.8797,.0605,2.4573;-1.309,2.1376,3.6499;4.4655,1.4548,-.3018;-3.2168,1.1312,2.9598;-6.3027,-3.7679,-.7328;-7.0012,-1.7475,.0331;-.2083,1.7195,1.1209;2.4341,.4085,-.2981;-5.7445,-.42,-2.0147;-6.0452,1.7351,-1.8165;4.7798,-3.8212,.6109;-6.3726,.015,-3.1331;-6.5347,1.2963,-3.0023;.5104,2.1511,-.0656;1.766,1.3999,.4816;.8048,.8876,1.5822;-1.5979,1.7758,1.3277;-2.4066,2.0127,.2675;-1.944,2.1635,-1.171;-3.891,2.1901,.4367;3.7562,.5188,-.6457;-2.0806,1.6559,2.7864;4.2468,-.6414,-1.5206;5.6697,-1.0233,-1.2337;6.0356,-1.8028,-.1158;6.6721,-.546,-2.0821;-5.5599,.6511,-1.2043;5.0284,-2.347,.8632;7.3908,-2.0858,.103;8.0155,-.8382,-1.8538;8.3793,-1.6131,-.7551;-5.4581,-1.8369,-1.8034;-6.3612,-2.5162,-.7193;1.9048,-.3959,-.6125;5.6402,-4.3753,.7205;4.0918,-4.1858,1.2777;4.4194,-3.9854,-.3266;.6003,3.2353,-.1458;2.5271,2.0988,.8417;-1.9727,3.218,-1.468;-2.6322,1.6326,-1.8368;-4.3251,2.8224,-.3414;-4.1388,2.6009,1.4119;3.5737,-1.4913,-1.4242;4.1553,-.3152,-2.5631;6.3976,.0554,-2.9433;4.0598,-1.8528,.8062;5.3941,-2.2876,1.8892;7.6712,-2.6736,.9643;8.7734,-.4619,-2.5338;9.4238,-1.8364,-.5636;-5.5798,-2.3279,-2.7663;-4.4155,-1.9395,-1.4847;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1770172 0.0393501 0.0376705</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.305672" y3="1.468662" z3="-1.575472">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.800734" y3="0.557417" z3="0.396087">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.847002" y3="0.082253" z3="2.448616">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.276793" y3="2.119545" z3="3.657022">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.41599" y3="1.410753" z3="-0.44304">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.184695" y3="1.102329" z3="2.971796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.352412" y3="-3.730959" z3="-0.674221">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.038926" y3="-1.687591" z3="0.043276">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.205668" y3="1.771257" z3="1.124985">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.394229" y3="0.373136" z3="-0.314593">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.71984" y3="-0.422761" z3="-2.015719">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-5.941895" y3="1.730876" z3="-1.85283">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.783279" y3="-3.872082" z3="0.538886">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.322633" y3="0.009938" z3="-3.147183">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.426675" y3="1.29734" z3="-3.043935">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.510845" y3="2.166316" z3="-0.088663">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.756806" y3="1.395096" z3="0.461382">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.793939" y3="0.918052" z3="1.57629">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.597808" y3="1.812747" z3="1.33145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.412096" y3="2.046562" z3="0.276125">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.945469" y3="2.204666" z3="-1.16061">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.895472" y3="2.19664" z3="0.452614">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.702236" y3="0.448543" z3="-0.707292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.062962" y3="1.657358" z3="2.795745">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.208871" y3="-0.745714" z3="-1.527863">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.658136" y3="-1.06677" z3="-1.228416">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.055202" y3="-1.803481" z3="-0.097167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.65338" y3="-0.54668" z3="-2.069367">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.508614" y3="0.645152" z3="-1.214805">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.059156" y3="-2.406374" z3="0.862955">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.420766" y3="-2.000621" z3="0.16027">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007167" y3="-0.755959" z3="-1.812466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.398021" y3="-1.48611" z3="-0.68946">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.474848" y3="-1.840055" z3="-1.782762">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.399491" y3="-2.479018" z3="-0.689462">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.859518" y3="-0.445578" z3="-0.568308">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.637773" y3="-4.436432" z3="0.60814">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.106851" y3="-4.268792" z3="1.194104">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.405388" y3="-3.996692" z3="-0.405119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.615194" y3="3.247689" z3="-0.199323">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.530117" y3="2.080394" z3="0.816535">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.934735" y3="3.261811" z3="-1.451626">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.652531" y3="1.703955" z3="-1.829053">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.338949" y3="2.81654" z3="-0.329488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.149762" y3="2.601795" z3="1.428465">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.553947" y3="-1.610061" z3="-1.396563">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.119923" y3="-0.458566" z3="-2.582692">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.358671" y3="0.035807" z3="-2.936751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.084696" y3="-1.912338" z3="0.846322">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.433069" y3="-2.395379" z3="1.885704">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.713546" y3="-2.563514" z3="1.04113">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.752962" y3="-0.344836" z3="-2.485409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.448756" y3="-1.645002" z3="-0.470909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.613044" y3="-2.340102" z3="-2.741277">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.432058" y3="-1.964372" z3="-1.476715">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3057,1.4687,-1.5755;-4.8007,.5574,.3961;.847,.0823,2.4486;-1.2768,2.1195,3.657;4.416,1.4108,-.443;-3.1847,1.1023,2.9718;-6.3524,-3.731,-.6742;-7.0389,-1.6876,.0433;-.2057,1.7713,1.125;2.3942,.3731,-.3146;-5.7198,-.4228,-2.0157;-5.9419,1.7309,-1.8528;4.7833,-3.8721,.5389;-6.3226,.0099,-3.1472;-6.4267,1.2973,-3.0439;.5108,2.1663,-.0887;1.7568,1.3951,.4614;.7939,.9181,1.5763;-1.5978,1.8127,1.3315;-2.4121,2.0466,.2761;-1.9455,2.2047,-1.1606;-3.8955,2.1966,.4526;3.7022,.4485,-.7073;-2.063,1.6574,2.7957;4.2089,-.7457,-1.5279;5.6581,-1.0668,-1.2284;6.0552,-1.8035,-.0972;6.6534,-.5467,-2.0694;-5.5086,.6452,-1.2148;5.0592,-2.4064,.863;7.4208,-2.0006,.1603;8.0072,-.756,-1.8125;8.398,-1.4861,-.6895;-5.4748,-1.8401,-1.7828;-6.3995,-2.479,-.6895;1.8595,-.4456,-.5683;5.6378,-4.4364,.6081;4.1069,-4.2688,1.1941;4.4054,-3.9967,-.4051;.6152,3.2477,-.1993;2.5301,2.0804,.8165;-1.9347,3.2618,-1.4516;-2.6525,1.704,-1.8291;-4.3389,2.8165,-.3295;-4.1498,2.6018,1.4285;3.5539,-1.6101,-1.3966;4.1199,-.4586,-2.5827;6.3587,.0358,-2.9368;4.0847,-1.9123,.8463;5.4331,-2.3954,1.8857;7.7135,-2.5635,1.0411;8.753,-.3448,-2.4854;9.4488,-1.645,-.4709;-5.613,-2.3401,-2.7413;-4.4321,-1.9644,-1.4767;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1771669 0.0394626 0.0378231</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.297294" y3="1.453297" z3="-1.568809">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827895" y3="0.571504" z3="0.388184">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.844272" y3="0.08239" z3="2.490148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.299588" y3="2.11025" z3="3.66072">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.421281" y3="1.413463" z3="-0.34992">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.229955" y3="1.148963" z3="2.970229">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.310113" y3="-3.737706" z3="-0.771909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.031053" y3="-1.730469" z3="0.008554">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225139" y3="1.734004" z3="1.134312">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391806" y3="0.375771" z3="-0.291932">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753879" y3="-0.382768" z3="-2.028026">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.042563" y3="1.760778" z3="-1.812036">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.864438" y3="-3.857427" z3="0.638663">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.374572" y3="0.058619" z3="-3.145432">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.52398" y3="1.339832" z3="-3.006903">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.495835" y3="2.145728" z3="-0.066703">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746493" y3="1.389418" z3="0.488617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.781156" y3="0.904918" z3="1.604094">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.61618" y3="1.794184" z3="1.336116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421512" y3="2.024468" z3="0.271994">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.955737" y3="2.152058" z3="-1.166036">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.904205" y3="2.199993" z3="0.43861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.707503" y3="0.465389" z3="-0.659306">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.092042" y3="1.66508" z3="2.798545">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.216483" y3="-0.705236" z3="-1.510194">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.667682" y3="-1.043378" z3="-1.230797">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.07399" y3="-1.7995" z3="-0.110882">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653248" y3="-0.557782" z3="-2.09889">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.567541" y3="0.673706" z3="-1.205761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.088027" y3="-2.368844" z3="0.878839">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.438236" y3="-2.040576" z3="0.108133">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.006679" y3="-0.812838" z3="-1.881508">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.404342" y3="-1.558179" z3="-0.771614">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.46916" y3="-1.796711" z3="-1.824305">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.381995" y3="-2.487728" z3="-0.75176">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852738" y3="-0.429139" z3="-0.580585">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.739387" y3="-4.381303" z3="0.73319">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.197133" y3="-4.246426" z3="1.311975">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.501074" y3="-4.043571" z3="-0.300502">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.590465" y3="3.229406" z3="-0.166055">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516399" y3="2.077718" z3="0.842036">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.978079" y3="3.201472" z3="-1.482788">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.648321" y3="1.613089" z3="-1.820688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.334947" y3="2.821819" z3="-0.348412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.152844" y3="2.608146" z3="1.413661">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.559878" y3="-1.572853" z3="-1.399967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.120371" y3="-0.389726" z3="-2.554867">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350699" y3="0.02876" z3="-2.961211">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.103028" y3="-1.90827" z3="0.835645">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.456002" y3="-2.295196" z3="1.902825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.746913" y3="-2.606229" z3="0.983617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746868" y3="-0.425533" z3="-2.574689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455126" y3="-1.755783" z3="-0.586598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.580985" y3="-2.282478" z3="-2.793449">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.426318" y3="-1.891786" z3="-1.50683">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2973,1.4533,-1.5688;-4.8279,.5715,.3882;.8443,.0824,2.4901;-1.2996,2.1103,3.6607;4.4213,1.4135,-.3499;-3.23,1.149,2.9702;-6.3101,-3.7377,-.7719;-7.0311,-1.7305,.0086;-.2251,1.734,1.1343;2.3918,.3758,-.2919;-5.7539,-.3828,-2.028;-6.0426,1.7608,-1.812;4.8644,-3.8574,.6387;-6.3746,.0586,-3.1454;-6.524,1.3398,-3.0069;.4958,2.1457,-.0667;1.7465,1.3894,.4886;.7812,.9049,1.6041;-1.6162,1.7942,1.3361;-2.4215,2.0245,.272;-1.9557,2.1521,-1.166;-3.9042,2.2,.4386;3.7075,.4654,-.6593;-2.092,1.6651,2.7985;4.2165,-.7052,-1.5102;5.6677,-1.0434,-1.2308;6.074,-1.7995,-.1109;6.6532,-.5578,-2.0989;-5.5675,.6737,-1.2058;5.088,-2.3688,.8788;7.4382,-2.0406,.1081;8.0067,-.8128,-1.8815;8.4043,-1.5582,-.7716;-5.4692,-1.7967,-1.8243;-6.382,-2.4877,-.7518;1.8527,-.4291,-.5806;5.7394,-4.3813,.7332;4.1971,-4.2464,1.312;4.5011,-4.0436,-.3005;.5905,3.2294,-.1661;2.5164,2.0777,.842;-1.9781,3.2015,-1.4828;-2.6483,1.6131,-1.8207;-4.3349,2.8218,-.3484;-4.1528,2.6081,1.4137;3.5599,-1.5729,-1.4;4.1204,-.3897,-2.5549;6.3507,.0288,-2.9612;4.103,-1.9083,.8356;5.456,-2.2952,1.9028;7.7469,-2.6062,.9836;8.7469,-.4255,-2.5747;9.4551,-1.7558,-.5866;-5.581,-2.2825,-2.7934;-4.4263,-1.8918,-1.5068;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1771713 0.0392057 0.0375385</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.292356" y3="1.4526" z3="-1.566863">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.828349" y3="0.575166" z3="0.389179">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.845284" y3="0.079723" z3="2.492609">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.298446" y3="2.101307" z3="3.661997">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.415924" y3="1.423331" z3="-0.368022">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.233074" y3="1.151923" z3="2.968313">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.331222" y3="-3.73358" z3="-0.760788">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.041103" y3="-1.718642" z3="0.009938">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.223126" y3="1.731316" z3="1.135976">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.393919" y3="0.372854" z3="-0.288197">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.746934" y3="-0.387699" z3="-2.026223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.027109" y3="1.757943" z3="-1.823355">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.858254" y3="-3.858619" z3="0.630741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.359311" y3="0.05024" z3="-3.149673">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.504174" y3="1.332756" z3="-3.018435">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.499288" y3="2.144273" z3="-0.063722">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.749166" y3="1.386809" z3="0.492224">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.782569" y3="0.901923" z3="1.606247">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.614628" y3="1.791264" z3="1.336426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.418591" y3="2.023115" z3="0.271608">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.951239" y3="2.151306" z3="-1.165917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.901258" y3="2.201368" z3="0.436182">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.705798" y3="0.469214" z3="-0.667117">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.092378" y3="1.662188" z3="2.798179">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.215457" y3="-0.701964" z3="-1.516373">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.665834" y3="-1.040267" z3="-1.233284">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.068866" y3="-1.799124" z3="-0.113846">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653878" y3="-0.552256" z3="-2.097127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.560664" y3="0.672044" z3="-1.20864">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.080328" y3="-2.370053" z3="0.872365">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.432754" y3="-2.038573" z3="0.109758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.006785" y3="-0.80667" z3="-1.875741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.401401" y3="-1.553611" z3="-0.765863">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.468981" y3="-1.801546" z3="-1.813157">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.393096" y3="-2.482975" z3="-0.744362">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.857601" y3="-0.436731" z3="-0.568751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.733953" y3="-4.381732" z3="0.721862">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.193834" y3="-4.249124" z3="1.305827">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.491572" y3="-4.043026" z3="-0.306994">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.594237" y3="3.228012" z3="-0.161716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.519021" y3="2.074423" z3="0.847077">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.97383" y3="3.200791" z3="-1.482405">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.64298" y3="1.612198" z3="-1.821372">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.330296" y3="2.822057" z3="-0.352652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.149997" y3="2.611421" z3="1.410317">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.55806" y3="-1.568746" z3="-1.406673">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121711" y3="-0.386662" z3="-2.561392">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.353611" y3="0.036259" z3="-2.958928">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.095157" y3="-1.909764" z3="0.82681">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.445007" y3="-2.296619" z3="1.897586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.73903" y3="-2.60486" z3="0.985648">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.749006" y3="-0.416811" z3="-2.565306">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.451733" y3="-1.750028" z3="-0.577061">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.575301" y3="-2.292436" z3="-2.780389">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.42894" y3="-1.898917" z3="-1.487184">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2924,1.4526,-1.5669;-4.8283,.5752,.3892;.8453,.0797,2.4926;-1.2984,2.1013,3.662;4.4159,1.4233,-.368;-3.2331,1.1519,2.9683;-6.3312,-3.7336,-.7608;-7.0411,-1.7186,.0099;-.2231,1.7313,1.136;2.3939,.3729,-.2882;-5.7469,-.3877,-2.0262;-6.0271,1.7579,-1.8234;4.8583,-3.8586,.6307;-6.3593,.0502,-3.1497;-6.5042,1.3328,-3.0184;.4993,2.1443,-.0637;1.7492,1.3868,.4922;.7826,.9019,1.6062;-1.6146,1.7913,1.3364;-2.4186,2.0231,.2716;-1.9512,2.1513,-1.1659;-3.9013,2.2014,.4362;3.7058,.4692,-.6671;-2.0924,1.6622,2.7982;4.2155,-.702,-1.5164;5.6658,-1.0403,-1.2333;6.0689,-1.7991,-.1138;6.6539,-.5523,-2.0971;-5.5607,.672,-1.2086;5.0803,-2.3701,.8724;7.4328,-2.0386,.1098;8.0068,-.8067,-1.8757;8.4014,-1.5536,-.7659;-5.469,-1.8015,-1.8132;-6.3931,-2.483,-.7444;1.8576,-.4367,-.5688;5.734,-4.3817,.7219;4.1938,-4.2491,1.3058;4.4916,-4.043,-.307;.5942,3.228,-.1617;2.519,2.0744,.8471;-1.9738,3.2008,-1.4824;-2.643,1.6122,-1.8214;-4.3303,2.8221,-.3527;-4.15,2.6114,1.4103;3.5581,-1.5687,-1.4067;4.1217,-.3867,-2.5614;6.3536,.0363,-2.9589;4.0952,-1.9098,.8268;5.445,-2.2966,1.8976;7.739,-2.6049,.9856;8.749,-.4168,-2.5653;9.4517,-1.75,-.5771;-5.5753,-2.2924,-2.7804;-4.4289,-1.8989,-1.4872;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1771998 0.0392298 0.0375732</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294402" y3="1.459125" z3="-1.566724">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.830184" y3="0.572636" z3="0.385096">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.838185" y3="0.072851" z3="2.489969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.306315" y3="2.101843" z3="3.663001">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422644" y3="1.407004" z3="-0.335096">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.235951" y3="1.143152" z3="2.967494">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.321793" y3="-3.733631" z3="-0.77255">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.035713" y3="-1.722656" z3="0.005217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.227362" y3="1.729344" z3="1.13762">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.390461" y3="0.374087" z3="-0.289466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.752944" y3="-0.382286" z3="-2.031851">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.037023" y3="1.762273" z3="-1.819728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.870719" y3="-3.851294" z3="0.650697">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.369441" y3="0.058857" z3="-3.151621">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.516456" y3="1.340681" z3="-3.015218">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496175" y3="2.145488" z3="-0.060291">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.744992" y3="1.385356" z3="0.494072">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.777435" y3="0.897992" z3="1.60617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.618732" y3="1.789682" z3="1.33724">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.422279" y3="2.022763" z3="0.272426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954022" y3="2.15525" z3="-1.16436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.90505" y3="2.199974" z3="0.437153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.707712" y3="0.46221" z3="-0.65178">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.097306" y3="1.6586" z3="2.798579">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.215772" y3="-0.704645" z3="-1.508478">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.667554" y3="-1.04323" z3="-1.233699">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.07701" y3="-1.796716" z3="-0.113184">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.650447" y3="-0.562271" z3="-2.107269">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566459" y3="0.674855" z3="-1.210528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.094166" y3="-2.361328" z3="0.882285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.441721" y3="-2.03881" z3="0.101594">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.004353" y3="-0.819081" z3="-1.89452">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405182" y3="-1.561116" z3="-0.783576">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.471689" y3="-1.796517" z3="-1.825268">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.388899" y3="-2.483295" z3="-0.753797">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.850458" y3="-0.428068" z3="-0.583993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.746931" y3="-4.373657" z3="0.742837">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.207661" y3="-4.237749" z3="1.329607">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.502228" y3="-4.042161" z3="-0.2854">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591714" y3="3.229464" z3="-0.155148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.515201" y3="2.07113" z3="0.8518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977001" y3="3.20572" z3="-1.477608">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645097" y3="1.61789" z3="-1.82191">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333952" y3="2.822762" z3="-0.350103">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.154917" y3="2.607134" z3="1.412335">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.559369" y3="-1.572683" z3="-1.400165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.117093" y3="-0.385057" z3="-2.551713">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.345444" y3="0.022351" z3="-2.970052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.108852" y3="-1.901532" z3="0.839534">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.465327" y3="-2.281526" z3="1.90473">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.753095" y3="-2.601511" z3="0.977971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.742379" y3="-0.43543" z3="-2.592026">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.456296" y3="-1.760131" z3="-0.601993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.582168" y3="-2.283972" z3="-2.793749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.429769" y3="-1.893333" z3="-1.505226">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2944,1.4591,-1.5667;-4.8302,.5726,.3851;.8382,.0729,2.49;-1.3063,2.1018,3.663;4.4226,1.407,-.3351;-3.236,1.1432,2.9675;-6.3218,-3.7336,-.7725;-7.0357,-1.7227,.0052;-.2274,1.7293,1.1376;2.3905,.3741,-.2895;-5.7529,-.3823,-2.0319;-6.037,1.7623,-1.8197;4.8707,-3.8513,.6507;-6.3694,.0589,-3.1516;-6.5165,1.3407,-3.0152;.4962,2.1455,-.0603;1.745,1.3854,.4941;.7774,.898,1.6062;-1.6187,1.7897,1.3372;-2.4223,2.0228,.2724;-1.954,2.1553,-1.1644;-3.9051,2.2,.4372;3.7077,.4622,-.6518;-2.0973,1.6586,2.7986;4.2158,-.7046,-1.5085;5.6676,-1.0432,-1.2337;6.077,-1.7967,-.1132;6.6504,-.5623,-2.1073;-5.5665,.6749,-1.2105;5.0942,-2.3613,.8823;7.4417,-2.0388,.1016;8.0044,-.8191,-1.8945;8.4052,-1.5611,-.7836;-5.4717,-1.7965,-1.8253;-6.3889,-2.4833,-.7538;1.8505,-.4281,-.584;5.7469,-4.3737,.7428;4.2077,-4.2377,1.3296;4.5022,-4.0422,-.2854;.5917,3.2295,-.1551;2.5152,2.0711,.8518;-1.977,3.2057,-1.4776;-2.6451,1.6179,-1.8219;-4.334,2.8228,-.3501;-4.1549,2.6071,1.4123;3.5594,-1.5727,-1.4002;4.1171,-.3851,-2.5517;6.3454,.0224,-2.9701;4.1089,-1.9015,.8395;5.4653,-2.2815,1.9047;7.7531,-2.6015,.978;8.7424,-.4354,-2.592;9.4563,-1.7601,-.602;-5.5822,-2.284,-2.7937;-4.4298,-1.8933,-1.5052;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772171 0.0391851 0.0375299</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.292458" y3="1.464665" z3="-1.574557">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.824182" y3="0.579002" z3="0.396265">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.843647" y3="0.072363" z3="2.479851">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.293398" y3="2.09808" z3="3.65403">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.419205" y3="1.42736" z3="-0.362381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.231783" y3="1.153746" z3="2.961752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.29001" y3="-3.746586" z3="-0.738983">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.003211" y3="-1.738136" z3="0.043923">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.223322" y3="1.730678" z3="1.130271">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.395668" y3="0.377515" z3="-0.298306">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.745123" y3="-0.3959" z3="-2.013689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.035905" y3="1.74923" z3="-1.815754">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.829233" y3="-3.854323" z3="0.604112">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.364678" y3="0.035844" z3="-3.135391">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.515793" y3="1.318064" z3="-3.007658">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.499127" y3="2.148474" z3="-0.067132">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.748792" y3="1.388556" z3="0.485091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.782714" y3="0.900257" z3="1.598009">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.614127" y3="1.794261" z3="1.330253">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.417991" y3="2.030194" z3="0.266537">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.951582" y3="2.160907" z3="-1.170881">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.901071" y3="2.207561" z3="0.432157">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.709972" y3="0.474956" z3="-0.668751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.090816" y3="1.66315" z3="2.791361">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.223587" y3="-0.689327" z3="-1.525237">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.66963" y3="-1.035565" z3="-1.230865">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.059211" y3="-1.798807" z3="-0.110066">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.666914" y3="-0.550007" z3="-2.085146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.560015" y3="0.667765" z3="-1.200257">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.058523" y3="-2.370514" z3="0.863798">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.419631" y3="-2.047135" z3="0.123057">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.016501" y3="-0.812383" z3="-1.853832">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.397941" y3="-1.564861" z3="-0.743016">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.454986" y3="-1.807636" z3="-1.801043">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.36202" y3="-2.496551" z3="-0.722099">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.858702" y3="-0.428584" z3="-0.587782">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.699377" y3="-4.384804" z3="0.702865">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.152372" y3="-4.248631" z3="1.264129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.475747" y3="-4.026745" z3="-0.341373">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.593927" y3="3.232596" z3="-0.160203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.518151" y3="2.075768" z3="0.842176">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.976886" y3="3.210406" z3="-1.487213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.643298" y3="1.620577" z3="-1.825315">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.330968" y3="2.820887" z3="-0.36192">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.151366" y3="2.626686" z3="1.402278">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.562717" y3="-1.555191" z3="-1.430692">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.141442" y3="-0.362459" z3="-2.567405">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.376843" y3="0.042685" z3="-2.947517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.07773" y3="-1.901266" z3="0.816604">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.418197" y3="-2.309623" z3="1.891125">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.715793" y3="-2.619748" z3="0.998684">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.766257" y3="-0.425394" z3="-2.536858">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.445594" y3="-1.768526" z3="-0.547195">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.564836" y3="-2.300085" z3="-2.767037">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.41167" y3="-1.896653" z3="-1.48343">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2925,1.4647,-1.5746;-4.8242,.579,.3963;.8436,.0724,2.4799;-1.2934,2.0981,3.654;4.4192,1.4274,-.3624;-3.2318,1.1537,2.9618;-6.29,-3.7466,-.739;-7.0032,-1.7381,.0439;-.2233,1.7307,1.1303;2.3957,.3775,-.2983;-5.7451,-.3959,-2.0137;-6.0359,1.7492,-1.8158;4.8292,-3.8543,.6041;-6.3647,.0358,-3.1354;-6.5158,1.3181,-3.0077;.4991,2.1485,-.0671;1.7488,1.3886,.4851;.7827,.9003,1.598;-1.6141,1.7943,1.3303;-2.418,2.0302,.2665;-1.9516,2.1609,-1.1709;-3.9011,2.2076,.4322;3.71,.475,-.6688;-2.0908,1.6631,2.7914;4.2236,-.6893,-1.5252;5.6696,-1.0356,-1.2309;6.0592,-1.7988,-.1101;6.6669,-.55,-2.0851;-5.56,.6678,-1.2003;5.0585,-2.3705,.8638;7.4196,-2.0471,.1231;8.0165,-.8124,-1.8538;8.3979,-1.5649,-.743;-5.455,-1.8076,-1.801;-6.362,-2.4966,-.7221;1.8587,-.4286,-.5878;5.6994,-4.3848,.7029;4.1524,-4.2486,1.2641;4.4757,-4.0267,-.3414;.5939,3.2326,-.1602;2.5182,2.0758,.8422;-1.9769,3.2104,-1.4872;-2.6433,1.6206,-1.8253;-4.331,2.8209,-.3619;-4.1514,2.6267,1.4023;3.5627,-1.5552,-1.4307;4.1414,-.3625,-2.5674;6.3768,.0427,-2.9475;4.0777,-1.9013,.8166;5.4182,-2.3096,1.8911;7.7158,-2.6197,.9987;8.7663,-.4254,-2.5369;9.4456,-1.7685,-.5472;-5.5648,-2.3001,-2.767;-4.4117,-1.8967,-1.4834;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1773651 0.0393114 0.0376579</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.293495" y3="1.457202" z3="-1.581966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.818272" y3="0.561815" z3="0.391071">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.861098" y3="0.086148" z3="2.478834">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.289765" y3="2.113964" z3="3.647067">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.427378" y3="1.425412" z3="-0.363879">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.211949" y3="1.130432" z3="2.96336">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.353718" y3="-3.738172" z3="-0.768351">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.063995" y3="-1.730257" z3="0.019052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.217855" y3="1.732861" z3="1.121729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.400278" y3="0.383836" z3="-0.307935">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.777297" y3="-0.384171" z3="-2.015428">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.049715" y3="1.761336" z3="-1.792566">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.859562" y3="-3.861961" z3="0.617781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.406843" y3="0.063741" z3="-3.12569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.543836" y3="1.34525" z3="-2.983681">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.500405" y3="2.148548" z3="-0.079358">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.754333" y3="1.396151" z3="0.473462">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.792402" y3="0.908429" z3="1.592338">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.607917" y3="1.789632" z3="1.32594">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.415434" y3="2.022013" z3="0.263941">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954305" y3="2.149129" z3="-1.175558">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.897708" y3="2.192362" z3="0.435751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.717102" y3="0.474172" z3="-0.671784">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.079977" y3="1.657545" z3="2.788348">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.231427" y3="-0.700079" z3="-1.513611">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.680217" y3="-1.039102" z3="-1.2225">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.07824" y3="-1.799638" z3="-0.101708">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.672756" y3="-0.547995" z3="-2.079692">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.575285" y3="0.669978" z3="-1.194039">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.085329" y3="-2.37697" z3="0.876438">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.440912" y3="-2.042457" z3="0.125656">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.02452" y3="-0.802467" z3="-1.852315">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.413673" y3="-1.553708" z3="-0.743658">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.503196" y3="-1.800483" z3="-1.814981">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.418457" y3="-2.488207" z3="-0.742754">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.863559" y3="-0.424078" z3="-0.592134">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.734217" y3="-4.387182" z3="0.700377">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.195279" y3="-4.257962" z3="1.28994">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.489718" y3="-4.035121" z3="-0.321432">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591046" y3="3.232722" z3="-0.177667">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.52389" y3="2.085103" z3="0.824785">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.982232" y3="3.197294" z3="-1.49516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.646296" y3="1.604834" z3="-1.826653">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333427" y3="2.809186" z3="-0.352162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.141783" y3="2.608332" z3="1.408646">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.574497" y3="-1.567361" z3="-1.4024">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.142688" y3="-0.390305" z3="-2.560579">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.377378" y3="0.042082" z3="-2.94203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.101816" y3="-1.913897" z3="0.832784">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.447095" y3="-2.316051" z3="1.903043">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.743073" y3="-2.610167" z3="1.002172">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.770179" y3="-0.409411" z3="-2.536238">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.463561" y3="-1.747286" z3="-0.549503">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.622799" y3="-2.282177" z3="-2.785035">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.460421" y3="-1.906058" z3="-1.500727">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2935,1.4572,-1.582;-4.8183,.5618,.3911;.8611,.0861,2.4788;-1.2898,2.114,3.6471;4.4274,1.4254,-.3639;-3.2119,1.1304,2.9634;-6.3537,-3.7382,-.7684;-7.064,-1.7303,.0191;-.2179,1.7329,1.1217;2.4003,.3838,-.3079;-5.7773,-.3842,-2.0154;-6.0497,1.7613,-1.7926;4.8596,-3.862,.6178;-6.4068,.0637,-3.1257;-6.5438,1.3453,-2.9837;.5004,2.1485,-.0794;1.7543,1.3962,.4735;.7924,.9084,1.5923;-1.6079,1.7896,1.3259;-2.4154,2.022,.2639;-1.9543,2.1491,-1.1756;-3.8977,2.1924,.4358;3.7171,.4742,-.6718;-2.08,1.6575,2.7883;4.2314,-.7001,-1.5136;5.6802,-1.0391,-1.2225;6.0782,-1.7996,-.1017;6.6728,-.548,-2.0797;-5.5753,.67,-1.194;5.0853,-2.377,.8764;7.4409,-2.0425,.1257;8.0245,-.8025,-1.8523;8.4137,-1.5537,-.7437;-5.5032,-1.8005,-1.815;-6.4185,-2.4882,-.7428;1.8636,-.4241,-.5921;5.7342,-4.3872,.7004;4.1953,-4.258,1.2899;4.4897,-4.0351,-.3214;.591,3.2327,-.1777;2.5239,2.0851,.8248;-1.9822,3.1973,-1.4952;-2.6463,1.6048,-1.8267;-4.3334,2.8092,-.3522;-4.1418,2.6083,1.4086;3.5745,-1.5674,-1.4024;4.1427,-.3903,-2.5606;6.3774,.0421,-2.942;4.1018,-1.9139,.8328;5.4471,-2.3161,1.903;7.7431,-2.6102,1.0022;8.7702,-.4094,-2.5362;9.4636,-1.7473,-.5495;-5.6228,-2.2822,-2.785;-4.4604,-1.9061,-1.5007;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1777903 0.0390611 0.0374302</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.296268" y3="1.461558" z3="-1.573916">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.819378" y3="0.567884" z3="0.391469">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.847353" y3="0.078631" z3="2.476023">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.292497" y3="2.107944" z3="3.656135">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.421309" y3="1.417688" z3="-0.374561">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.217494" y3="1.133008" z3="2.966604">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.331488" y3="-3.736805" z3="-0.741386">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037939" y3="-1.718984" z3="0.025047">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.219022" y3="1.740352" z3="1.129385">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.394994" y3="0.376906" z3="-0.301262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.749391" y3="-0.395085" z3="-2.02043">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.017406" y3="1.752252" z3="-1.820564">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.838806" y3="-3.860193" z3="0.606613">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.366171" y3="0.043729" z3="-3.141312">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.501522" y3="1.327097" z3="-3.013298">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.501382" y3="2.151636" z3="-0.07295">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.751033" y3="1.39103" z3="0.479784">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.786243" y3="0.90591" z3="1.594428">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.610175" y3="1.795966" z3="1.331871">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.417282" y3="2.029558" z3="0.270154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.95156" y3="2.166143" z3="-1.167516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.900161" y3="2.198919" z3="0.439553">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.709104" y3="0.465051" z3="-0.673819">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.083673" y3="1.65901" z3="2.794174">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.219452" y3="-0.709897" z3="-1.518033">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668793" y3="-1.045986" z3="-1.229295">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.068486" y3="-1.79951" z3="-0.106206">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.660146" y3="-0.552188" z3="-2.087057">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.553772" y3="0.665362" z3="-1.205588">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.07619" y3="-2.377771" z3="0.872214">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.43226" y3="-2.032381" z3="0.125609">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.012862" y3="-0.798334" z3="-1.856409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.404528" y3="-1.542162" z3="-0.74328">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.47677" y3="-1.810147" z3="-1.807528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.393952" y3="-2.486098" z3="-0.729481">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.857792" y3="-0.431882" z3="-0.581897">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.7085" y3="-4.394816" z3="0.692744">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.169446" y3="-4.253045" z3="1.274502">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.470755" y3="-4.027581" z3="-0.334293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.597632" y3="3.235099" z3="-0.172161">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.5216" y3="2.077868" z3="0.835091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.96833" y3="3.217547" z3="-1.477876">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.646837" y3="1.63491" z3="-1.825456">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.33431" y3="2.81782" z3="-0.347968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.149618" y3="2.610047" z3="1.413406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.562337" y3="-1.576463" z3="-1.406096">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.128829" y3="-0.399151" z3="-2.564908">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.363015" y3="0.035047" z3="-2.950689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.094656" y3="-1.907173" z3="0.833837">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.443007" y3="-2.322446" z3="1.897221">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.733841" y3="-2.598394" z3="1.002969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.757175" y3="-0.404992" z3="-2.54166">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.454763" y3="-1.731283" z3="-0.546877">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.59542" y3="-2.300502" z3="-2.773532">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.434202" y3="-1.913914" z3="-1.492188">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2963,1.4616,-1.5739;-4.8194,.5679,.3915;.8474,.0786,2.476;-1.2925,2.1079,3.6561;4.4213,1.4177,-.3746;-3.2175,1.133,2.9666;-6.3315,-3.7368,-.7414;-7.0379,-1.719,.025;-.219,1.7404,1.1294;2.395,.3769,-.3013;-5.7494,-.3951,-2.0204;-6.0174,1.7523,-1.8206;4.8388,-3.8602,.6066;-6.3662,.0437,-3.1413;-6.5015,1.3271,-3.0133;.5014,2.1516,-.073;1.751,1.391,.4798;.7862,.9059,1.5944;-1.6102,1.796,1.3319;-2.4173,2.0296,.2702;-1.9516,2.1661,-1.1675;-3.9002,2.1989,.4396;3.7091,.4651,-.6738;-2.0837,1.659,2.7942;4.2195,-.7099,-1.518;5.6688,-1.046,-1.2293;6.0685,-1.7995,-.1062;6.6601,-.5522,-2.0871;-5.5538,.6654,-1.2056;5.0762,-2.3778,.8722;7.4323,-2.0324,.1256;8.0129,-.7983,-1.8564;8.4045,-1.5422,-.7433;-5.4768,-1.8101,-1.8075;-6.394,-2.4861,-.7295;1.8578,-.4319,-.5819;5.7085,-4.3948,.6927;4.1694,-4.253,1.2745;4.4708,-4.0276,-.3343;.5976,3.2351,-.1722;2.5216,2.0779,.8351;-1.9683,3.2175,-1.4779;-2.6468,1.6349,-1.8255;-4.3343,2.8178,-.348;-4.1496,2.61,1.4134;3.5623,-1.5765,-1.4061;4.1288,-.3992,-2.5649;6.363,.035,-2.9507;4.0947,-1.9072,.8338;5.443,-2.3224,1.8972;7.7338,-2.5984,1.003;8.7572,-.405,-2.5417;9.4548,-1.7313,-.5469;-5.5954,-2.3005,-2.7735;-4.4342,-1.9139,-1.4922;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1773682 0.0392434 0.0375989</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.293771" y3="1.459302" z3="-1.572841">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.824665" y3="0.571014" z3="0.390046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.84678" y3="0.077443" z3="2.483989">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.297162" y3="2.10466" z3="3.656448">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422227" y3="1.418755" z3="-0.355812">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.226861" y3="1.142029" z3="2.965368">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.325412" y3="-3.737772" z3="-0.760097">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037044" y3="-1.726879" z3="0.019102">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.222802" y3="1.731908" z3="1.13116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.394825" y3="0.377367" z3="-0.296942">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.756331" y3="-0.387499" z3="-2.022266">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.036718" y3="1.757862" z3="-1.812706">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.854615" y3="-3.856415" z3="0.6261">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.376241" y3="0.052815" z3="-3.140645">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.52011" y3="1.334908" z3="-3.006078">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.498734" y3="2.147389" z3="-0.068124">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.749206" y3="1.389463" z3="0.485422">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.783755" y3="0.902338" z3="1.599864">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.61373" y3="1.791456" z3="1.332407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.418766" y3="2.024861" z3="0.268852">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.953034" y3="2.155627" z3="-1.168922">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.901482" y3="2.199673" z3="0.436011">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.710427" y3="0.468887" z3="-0.664324">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.089658" y3="1.659697" z3="2.794122">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.221585" y3="-0.700669" z3="-1.515112">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.671068" y3="-1.040606" z3="-1.22987">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.071892" y3="-1.798436" z3="-0.109051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.660791" y3="-0.553999" z3="-2.09269">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.565328" y3="0.67088" z3="-1.203612">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.081242" y3="-2.369841" z3="0.874895">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.435062" y3="-2.040664" z3="0.115407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.013082" y3="-0.809923" z3="-1.869645">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405402" y3="-1.557111" z3="-0.759152">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.476351" y3="-1.80181" z3="-1.814574">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.391827" y3="-2.487507" z3="-0.741014">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.856964" y3="-0.428601" z3="-0.584779">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.728457" y3="-4.382579" z3="0.716476">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.187593" y3="-4.247979" z3="1.297922">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.48905" y3="-4.035887" z3="-0.313433">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.592923" y3="3.231365" z3="-0.164302">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.519085" y3="2.076642" z3="0.840843">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.976987" y3="3.205331" z3="-1.484416">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.64501" y3="1.61642" z3="-1.824055">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.332863" y3="2.81843" z3="-0.352995">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.149819" y3="2.612179" z3="1.409365">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.563948" y3="-1.567793" z3="-1.408301">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.13013" y3="-0.38348" z3="-2.559689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.36258" y3="0.034339" z3="-2.955278">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.097714" y3="-1.906068" z3="0.831148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.446559" y3="-2.301913" z3="1.900002">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.739441" y3="-2.607382" z3="0.991739">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.756553" y3="-0.4215" z3="-2.55865">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455359" y3="-1.75435" z3="-0.569155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.58936" y3="-2.289552" z3="-2.782554">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.434065" y3="-1.900035" z3="-1.496266">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2938,1.4593,-1.5728;-4.8247,.571,.39;.8468,.0774,2.484;-1.2972,2.1047,3.6564;4.4222,1.4188,-.3558;-3.2269,1.142,2.9654;-6.3254,-3.7378,-.7601;-7.037,-1.7269,.0191;-.2228,1.7319,1.1312;2.3948,.3774,-.2969;-5.7563,-.3875,-2.0223;-6.0367,1.7579,-1.8127;4.8546,-3.8564,.6261;-6.3762,.0528,-3.1406;-6.5201,1.3349,-3.0061;.4987,2.1474,-.0681;1.7492,1.3895,.4854;.7838,.9023,1.5999;-1.6137,1.7915,1.3324;-2.4188,2.0249,.2689;-1.953,2.1556,-1.1689;-3.9015,2.1997,.436;3.7104,.4689,-.6643;-2.0897,1.6597,2.7941;4.2216,-.7007,-1.5151;5.6711,-1.0406,-1.2299;6.0719,-1.7984,-.1091;6.6608,-.554,-2.0927;-5.5653,.6709,-1.2036;5.0812,-2.3698,.8749;7.4351,-2.0407,.1154;8.0131,-.8099,-1.8696;8.4054,-1.5571,-.7592;-5.4764,-1.8018,-1.8146;-6.3918,-2.4875,-.741;1.857,-.4286,-.5848;5.7285,-4.3826,.7165;4.1876,-4.248,1.2979;4.489,-4.0359,-.3134;.5929,3.2314,-.1643;2.5191,2.0766,.8408;-1.977,3.2053,-1.4844;-2.645,1.6164,-1.8241;-4.3329,2.8184,-.353;-4.1498,2.6122,1.4094;3.5639,-1.5678,-1.4083;4.1301,-.3835,-2.5597;6.3626,.0343,-2.9553;4.0977,-1.9061,.8311;5.4466,-2.3019,1.9;7.7394,-2.6074,.9917;8.7566,-.4215,-2.5587;9.4554,-1.7544,-.5692;-5.5894,-2.2896,-2.7826;-4.4341,-1.9,-1.4963;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1774013 0.0391909 0.0375433</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294809" y3="1.458181" z3="-1.569702">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.82764" y3="0.572001" z3="0.387488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.842775" y3="0.076065" z3="2.487095">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.300958" y3="2.103388" z3="3.660438">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422217" y3="1.41243" z3="-0.345664">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.231781" y3="1.145209" z3="2.967329">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.324825" y3="-3.734983" z3="-0.767697">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.039225" y3="-1.723769" z3="0.008948">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225083" y3="1.731142" z3="1.134311">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.392136" y3="0.375674" z3="-0.293707">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.754452" y3="-0.384244" z3="-2.027601">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038479" y3="1.760298" z3="-1.815566">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.86534" y3="-3.855606" z3="0.639605">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.3727" y3="0.056542" z3="-3.146484">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.519489" y3="1.338342" z3="-3.010238">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.497049" y3="2.146215" z3="-0.064809">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746823" y3="1.387596" z3="0.489205">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.78054" y3="0.900594" z3="1.602756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.61628" y3="1.79142" z3="1.335262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.420771" y3="2.024152" z3="0.271143">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954223" y3="2.154397" z3="-1.166425">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.90348" y3="2.200064" z3="0.437117">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708608" y3="0.465288" z3="-0.658281">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.09323" y3="1.660351" z3="2.797073">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.218238" y3="-0.703561" z3="-1.511165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.669168" y3="-1.042155" z3="-1.231672">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.074987" y3="-1.79843" z3="-0.11167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.655064" y3="-0.557412" z3="-2.099807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.56668" y3="0.673205" z3="-1.206858">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.088785" y3="-2.366894" z3="0.878315">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.43909" y3="-2.039716" z3="0.107725">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.008372" y3="-0.812978" z3="-1.882175">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405567" y3="-1.557937" z3="-0.771878">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.473915" y3="-1.798487" z3="-1.820471">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.391713" y3="-2.484669" z3="-0.749113">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.853256" y3="-0.428778" z3="-0.583946">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.740489" y3="-4.379226" z3="0.734146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.198752" y3="-4.244152" z3="1.313831">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.501278" y3="-4.042349" z3="-0.299056">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.59203" y3="3.230153" z3="-0.160859">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.517036" y3="2.074214" z3="0.845178">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977756" y3="3.204293" z3="-1.481467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645931" y3="1.615744" z3="-1.822263">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333519" y3="2.821421" z3="-0.350616">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.152553" y3="2.608831" z3="1.411841">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.561486" y3="-1.571232" z3="-1.40283">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.122724" y3="-0.385817" z3="-2.555222">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.352862" y3="0.029021" z3="-2.962324">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.103888" y3="-1.906371" z3="0.83473">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.456629" y3="-2.291855" z3="1.902228">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.747417" y3="-2.604994" z3="0.983581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.748803" y3="-0.426197" z3="-2.575387">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.456212" y3="-1.7558" z3="-0.586395">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.584281" y3="-2.286269" z3="-2.788782">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.4322" y3="-1.895558" z3="-1.499876">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2948,1.4582,-1.5697;-4.8276,.572,.3875;.8428,.0761,2.4871;-1.301,2.1034,3.6604;4.4222,1.4124,-.3457;-3.2318,1.1452,2.9673;-6.3248,-3.735,-.7677;-7.0392,-1.7238,.0089;-.2251,1.7311,1.1343;2.3921,.3757,-.2937;-5.7545,-.3842,-2.0276;-6.0385,1.7603,-1.8156;4.8653,-3.8556,.6396;-6.3727,.0565,-3.1465;-6.5195,1.3383,-3.0102;.497,2.1462,-.0648;1.7468,1.3876,.4892;.7805,.9006,1.6028;-1.6163,1.7914,1.3353;-2.4208,2.0242,.2711;-1.9542,2.1544,-1.1664;-3.9035,2.2001,.4371;3.7086,.4653,-.6583;-2.0932,1.6604,2.7971;4.2182,-.7036,-1.5112;5.6692,-1.0422,-1.2317;6.075,-1.7984,-.1117;6.6551,-.5574,-2.0998;-5.5667,.6732,-1.2069;5.0888,-2.3669,.8783;7.4391,-2.0397,.1077;8.0084,-.813,-1.8822;8.4056,-1.5579,-.7719;-5.4739,-1.7985,-1.8205;-6.3917,-2.4847,-.7491;1.8533,-.4288,-.5839;5.7405,-4.3792,.7341;4.1988,-4.2442,1.3138;4.5013,-4.0423,-.2991;.592,3.2302,-.1609;2.517,2.0742,.8452;-1.9778,3.2043,-1.4815;-2.6459,1.6157,-1.8223;-4.3335,2.8214,-.3506;-4.1526,2.6088,1.4118;3.5615,-1.5712,-1.4028;4.1227,-.3858,-2.5552;6.3529,.029,-2.9623;4.1039,-1.9064,.8347;5.4566,-2.2919,1.9022;7.7474,-2.605,.9836;8.7488,-.4262,-2.5754;9.4562,-1.7558,-.5864;-5.5843,-2.2863,-2.7888;-4.4322,-1.8956,-1.4999;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772949 0.0391819 0.0375286</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294981" y3="1.458553" z3="-1.568698">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827743" y3="0.572005" z3="0.387437">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841731" y3="0.077408" z3="2.488609">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.30228" y3="2.104822" z3="3.661167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422083" y3="1.412234" z3="-0.343487">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232532" y3="1.145736" z3="2.967595">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.319461" y3="-3.736081" z3="-0.768022">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.03496" y3="-1.725424" z3="0.008968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225694" y3="1.732301" z3="1.135281">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391571" y3="0.376292" z3="-0.292183">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.752086" y3="-0.384953" z3="-2.028288">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.037342" y3="1.759487" z3="-1.816738">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.863929" y3="-3.855125" z3="0.640067">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.369604" y3="0.055448" z3="-3.14779">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.517079" y3="1.337169" z3="-3.011812">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.49665" y3="2.146969" z3="-0.063853">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746307" y3="1.388393" z3="0.490522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.77978" y3="0.901759" z3="1.604075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616917" y3="1.792461" z3="1.335905">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421238" y3="2.024859" z3="0.271579">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954422" y3="2.154931" z3="-1.165891">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.90405" y3="2.200403" z3="0.437261">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708111" y3="0.46554" z3="-0.656641">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094183" y3="1.661422" z3="2.797613">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217135" y3="-0.702922" z3="-1.510359">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.66808" y3="-1.042193" z3="-1.231828">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.074239" y3="-1.798804" z3="-0.112212">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653646" y3="-0.557984" z3="-2.100672">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.56544" y3="0.672694" z3="-1.207546">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.088364" y3="-2.366521" z3="0.878597">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.438376" y3="-2.041219" z3="0.105963">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.006926" y3="-0.814658" z3="-1.884269">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.404474" y3="-1.560147" z3="-0.774467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.470451" y3="-1.79896" z3="-1.821142">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.387291" y3="-2.485815" z3="-0.749414">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852451" y3="-0.427886" z3="-0.58274">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.739087" y3="-4.378993" z3="0.732767">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.198435" y3="-4.243615" z3="1.315421">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.497996" y3="-4.041545" z3="-0.297943">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591722" y3="3.230861" z3="-0.160265">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516538" y3="2.075025" z3="0.84644">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977838" y3="3.204771" z3="-1.481125">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.646008" y3="1.616171" z3="-1.821782">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.334174" y3="2.821581" z3="-0.350553">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153407" y3="2.609246" z3="1.411872">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560191" y3="-1.57051" z3="-1.402213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121118" y3="-0.384663" z3="-2.554213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.351178" y3="0.028874" z3="-2.962805">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.103714" y3="-1.905391" z3="0.835507">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.457029" y3="-2.291607" z3="1.902208">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.747075" y3="-2.606575" z3="0.981636">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.747088" y3="-0.428231" z3="-2.577964">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455142" y3="-1.75879" z3="-0.589939">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.58078" y3="-2.286749" z3="-2.789439">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.428553" y3="-1.895261" z3="-1.500857">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.295,1.4586,-1.5687;-4.8277,.572,.3874;.8417,.0774,2.4886;-1.3023,2.1048,3.6612;4.4221,1.4122,-.3435;-3.2325,1.1457,2.9676;-6.3195,-3.7361,-.768;-7.035,-1.7254,.009;-.2257,1.7323,1.1353;2.3916,.3763,-.2922;-5.7521,-.385,-2.0283;-6.0373,1.7595,-1.8167;4.8639,-3.8551,.6401;-6.3696,.0554,-3.1478;-6.5171,1.3372,-3.0118;.4966,2.147,-.0639;1.7463,1.3884,.4905;.7798,.9018,1.6041;-1.6169,1.7925,1.3359;-2.4212,2.0249,.2716;-1.9544,2.1549,-1.1659;-3.904,2.2004,.4373;3.7081,.4655,-.6566;-2.0942,1.6614,2.7976;4.2171,-.7029,-1.5104;5.6681,-1.0422,-1.2318;6.0742,-1.7988,-.1122;6.6536,-.558,-2.1007;-5.5654,.6727,-1.2075;5.0884,-2.3665,.8786;7.4384,-2.0412,.106;8.0069,-.8147,-1.8843;8.4045,-1.5601,-.7745;-5.4705,-1.799,-1.8211;-6.3873,-2.4858,-.7494;1.8525,-.4279,-.5827;5.7391,-4.379,.7328;4.1984,-4.2436,1.3154;4.498,-4.0415,-.2979;.5917,3.2309,-.1603;2.5165,2.075,.8464;-1.9778,3.2048,-1.4811;-2.646,1.6162,-1.8218;-4.3342,2.8216,-.3506;-4.1534,2.6092,1.4119;3.5602,-1.5705,-1.4022;4.1211,-.3847,-2.5542;6.3512,.0289,-2.9628;4.1037,-1.9054,.8355;5.457,-2.2916,1.9022;7.7471,-2.6066,.9816;8.7471,-.4282,-2.578;9.4551,-1.7588,-.5899;-5.5808,-2.2867,-2.7894;-4.4286,-1.8953,-1.5009;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1771981 0.0392007 0.0375415</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294592" y3="1.458541" z3="-1.568862">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.82787" y3="0.571855" z3="0.387317">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841844" y3="0.076389" z3="2.488296">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302136" y3="2.103994" z3="3.661004">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422438" y3="1.412141" z3="-0.343203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232689" y3="1.145513" z3="2.967434">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.321006" y3="-3.735698" z3="-0.768519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.036189" y3="-1.725052" z3="0.008779">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225635" y3="1.731412" z3="1.135157">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391944" y3="0.376158" z3="-0.292287">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753292" y3="-0.384406" z3="-2.028278">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038088" y3="1.759999" z3="-1.816111">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.864755" y3="-3.854649" z3="0.641069">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371245" y3="0.056332" z3="-3.147361">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518434" y3="1.338042" z3="-3.011067">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.49683" y3="2.146569" z3="-0.063712">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746497" y3="1.387964" z3="0.490634">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779884" y3="0.900924" z3="1.603937">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616873" y3="1.791677" z3="1.335746">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421102" y3="2.024282" z3="0.271381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954217" y3="2.154501" z3="-1.166055">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903895" y3="2.200082" z3="0.436976">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708485" y3="0.46553" z3="-0.656658">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094184" y3="1.660802" z3="2.797471">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217594" y3="-0.702813" z3="-1.510517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668525" y3="-1.042101" z3="-1.231968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.074692" y3="-1.798379" z3="-0.112127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.654082" y3="-0.558226" z3="-2.101034">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566167" y3="0.673001" z3="-1.20735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.08882" y3="-2.365887" z3="0.878797">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.438829" y3="-2.040768" z3="0.106076">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007362" y3="-0.814845" z3="-1.884561">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.404923" y3="-1.559992" z3="-0.774526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.471874" y3="-1.798508" z3="-1.821498">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.388684" y3="-2.485441" z3="-0.749765">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852842" y3="-0.427835" z3="-0.583379">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.739999" y3="-4.378324" z3="0.734211">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.19928" y3="-4.242876" z3="1.316567">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.498954" y3="-4.04165" z3="-0.296875">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591785" y3="3.230503" z3="-0.159754">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516599" y3="2.074564" z3="0.846908">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977927" y3="3.204345" z3="-1.481258">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.64559" y3="1.61556" z3="-1.82201">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333949" y3="2.821272" z3="-0.350882">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153187" y3="2.609021" z3="1.411562">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560719" y3="-1.570458" z3="-1.402496">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.12163" y3="-0.384491" z3="-2.55435">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.351621" y3="0.028307" z3="-2.963388">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104032" y3="-1.905024" z3="0.835405">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.457266" y3="-2.290358" z3="1.902438">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.747523" y3="-2.606155" z3="0.981738">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.747501" y3="-0.428715" z3="-2.578444">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455583" y3="-1.75866" z3="-0.589982">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.582413" y3="-2.28608" z3="-2.789878">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.429949" y3="-1.8951" z3="-1.501411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2946,1.4585,-1.5689;-4.8279,.5719,.3873;.8418,.0764,2.4883;-1.3021,2.104,3.661;4.4224,1.4121,-.3432;-3.2327,1.1455,2.9674;-6.321,-3.7357,-.7685;-7.0362,-1.7251,.0088;-.2256,1.7314,1.1352;2.3919,.3762,-.2923;-5.7533,-.3844,-2.0283;-6.0381,1.76,-1.8161;4.8648,-3.8546,.6411;-6.3712,.0563,-3.1474;-6.5184,1.338,-3.0111;.4968,2.1466,-.0637;1.7465,1.388,.4906;.7799,.9009,1.6039;-1.6169,1.7917,1.3357;-2.4211,2.0243,.2714;-1.9542,2.1545,-1.1661;-3.9039,2.2001,.437;3.7085,.4655,-.6567;-2.0942,1.6608,2.7975;4.2176,-.7028,-1.5105;5.6685,-1.0421,-1.232;6.0747,-1.7984,-.1121;6.6541,-.5582,-2.101;-5.5662,.673,-1.2073;5.0888,-2.3659,.8788;7.4388,-2.0408,.1061;8.0074,-.8148,-1.8846;8.4049,-1.56,-.7745;-5.4719,-1.7985,-1.8215;-6.3887,-2.4854,-.7498;1.8528,-.4278,-.5834;5.74,-4.3783,.7342;4.1993,-4.2429,1.3166;4.499,-4.0416,-.2969;.5918,3.2305,-.1598;2.5166,2.0746,.8469;-1.9779,3.2043,-1.4813;-2.6456,1.6156,-1.822;-4.3339,2.8213,-.3509;-4.1532,2.609,1.4116;3.5607,-1.5705,-1.4025;4.1216,-.3845,-2.5543;6.3516,.0283,-2.9634;4.104,-1.905,.8354;5.4573,-2.2904,1.9024;7.7475,-2.6062,.9817;8.7475,-.4287,-2.5784;9.4556,-1.7587,-.59;-5.5824,-2.2861,-2.7899;-4.4299,-1.8951,-1.5014;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772360 0.0391923 0.0375354</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294817" y3="1.458282" z3="-1.56885">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827933" y3="0.571966" z3="0.387286">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841791" y3="0.076703" z3="2.488441">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302239" y3="2.104137" z3="3.661007">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.4222" y3="1.411958" z3="-0.343575">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232648" y3="1.145389" z3="2.967416">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.320229" y3="-3.735684" z3="-0.768929">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.035565" y3="-1.725285" z3="0.008844">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225693" y3="1.731565" z3="1.135124">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391735" y3="0.37594" z3="-0.292253">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753373" y3="-0.38413" z3="-2.028355">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.03855" y3="1.76021" z3="-1.815886">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.865304" y3="-3.854953" z3="0.641252">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371461" y3="0.056647" z3="-3.147362">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518887" y3="1.338316" z3="-3.010872">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496727" y3="2.146491" z3="-0.063862">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746388" y3="1.387914" z3="0.490528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779817" y3="0.901116" z3="1.603972">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616918" y3="1.791831" z3="1.335742">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421183" y3="2.024395" z3="0.271404">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954313" y3="2.15456" z3="-1.166049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903967" y3="2.200216" z3="0.437054">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708252" y3="0.465237" z3="-0.656718">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094218" y3="1.660862" z3="2.797461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217333" y3="-0.703298" z3="-1.510308">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668351" y3="-1.042314" z3="-1.231874">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.07476" y3="-1.798485" z3="-0.112047">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653743" y3="-0.558284" z3="-2.101033">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566364" y3="0.67321" z3="-1.207314">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089095" y3="-2.366136" z3="0.878985">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.43895" y3="-2.040633" z3="0.106052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007086" y3="-0.81465" z3="-1.884665">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.404879" y3="-1.559693" z3="-0.77464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.471645" y3="-1.798204" z3="-1.821808">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.3881" y3="-2.485437" z3="-0.749968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852654" y3="-0.428208" z3="-0.582965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.740669" y3="-4.378421" z3="0.734381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.199895" y3="-4.243317" z3="1.316743">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.499555" y3="-4.042025" z3="-0.296695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591734" y3="3.230405" z3="-0.160075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516533" y3="2.074554" z3="0.846622">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977813" y3="3.204411" z3="-1.481243">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645807" y3="1.615753" z3="-1.82199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.334017" y3="2.821421" z3="-0.350788">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153248" y3="2.609132" z3="1.411651">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560564" y3="-1.570977" z3="-1.401896">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121154" y3="-0.385289" z3="-2.554225">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.351096" y3="0.028191" z3="-2.963364">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104237" y3="-1.905444" z3="0.835577">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.457599" y3="-2.290504" z3="1.902599">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.747802" y3="-2.605841" z3="0.981766">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.747103" y3="-0.428371" z3="-2.578595">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455595" y3="-1.758131" z3="-0.590168">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.582333" y3="-2.285652" z3="-2.790235">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.42963" y3="-1.894657" z3="-1.501961">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2948,1.4583,-1.5689;-4.8279,.572,.3873;.8418,.0767,2.4884;-1.3022,2.1041,3.661;4.4222,1.412,-.3436;-3.2326,1.1454,2.9674;-6.3202,-3.7357,-.7689;-7.0356,-1.7253,.0088;-.2257,1.7316,1.1351;2.3917,.3759,-.2923;-5.7534,-.3841,-2.0284;-6.0385,1.7602,-1.8159;4.8653,-3.855,.6413;-6.3715,.0566,-3.1474;-6.5189,1.3383,-3.0109;.4967,2.1465,-.0639;1.7464,1.3879,.4905;.7798,.9011,1.604;-1.6169,1.7918,1.3357;-2.4212,2.0244,.2714;-1.9543,2.1546,-1.166;-3.904,2.2002,.4371;3.7083,.4652,-.6567;-2.0942,1.6609,2.7975;4.2173,-.7033,-1.5103;5.6684,-1.0423,-1.2319;6.0748,-1.7985,-.112;6.6537,-.5583,-2.101;-5.5664,.6732,-1.2073;5.0891,-2.3661,.879;7.439,-2.0406,.1061;8.0071,-.8146,-1.8847;8.4049,-1.5597,-.7746;-5.4716,-1.7982,-1.8218;-6.3881,-2.4854,-.75;1.8527,-.4282,-.583;5.7407,-4.3784,.7344;4.1999,-4.2433,1.3167;4.4996,-4.042,-.2967;.5917,3.2304,-.1601;2.5165,2.0746,.8466;-1.9778,3.2044,-1.4812;-2.6458,1.6158,-1.822;-4.334,2.8214,-.3508;-4.1532,2.6091,1.4117;3.5606,-1.571,-1.4019;4.1212,-.3853,-2.5542;6.3511,.0282,-2.9634;4.1042,-1.9054,.8356;5.4576,-2.2905,1.9026;7.7478,-2.6058,.9818;8.7471,-.4284,-2.5786;9.4556,-1.7581,-.5902;-5.5823,-2.2857,-2.7902;-4.4296,-1.8947,-1.502;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772352 0.0391928 0.0375358</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294702" y3="1.458135" z3="-1.568662">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827984" y3="0.57173" z3="0.386981">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841747" y3="0.076142" z3="2.488433">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302262" y3="2.103366" z3="3.661212">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422367" y3="1.411824" z3="-0.342977">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.23274" y3="1.144875" z3="2.967432">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322514" y3="-3.735249" z3="-0.769415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037393" y3="-1.724538" z3="0.007973">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225686" y3="1.731205" z3="1.135323">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391871" y3="0.375828" z3="-0.29211">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753803" y3="-0.383928" z3="-2.028677">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.037965" y3="1.760557" z3="-1.816216">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866227" y3="-3.854494" z3="0.64252">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371648" y3="0.05715" z3="-3.147702">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518467" y3="1.338886" z3="-3.01122">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496768" y3="2.146262" z3="-0.063596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746431" y3="1.387662" z3="0.490771">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779816" y3="0.900709" z3="1.604109">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.61692" y3="1.791436" z3="1.335897">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421139" y3="2.024102" z3="0.271553">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954216" y3="2.154378" z3="-1.165875">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903932" y3="2.19993" z3="0.437165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708431" y3="0.465197" z3="-0.656436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094267" y3="1.660284" z3="2.797588">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217525" y3="-0.703095" z3="-1.510342">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.66855" y3="-1.042243" z3="-1.2321">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075137" y3="-1.798191" z3="-0.112189">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653797" y3="-0.558593" z3="-2.101641">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566316" y3="0.673335" z3="-1.207632">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089653" y3="-2.365481" z3="0.879236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439355" y3="-2.04039" z3="0.105672">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.00716" y3="-0.815046" z3="-1.88553">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405132" y3="-1.559803" z3="-0.77538">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472826" y3="-1.798149" z3="-1.822098">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389929" y3="-2.484972" z3="-0.750543">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852851" y3="-0.428326" z3="-0.582928">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741714" y3="-4.377709" z3="0.735927">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.20098" y3="-4.242506" z3="1.31837">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500444" y3="-4.042379" z3="-0.295248">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591732" y3="3.230186" z3="-0.15971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516522" y3="2.074288" z3="0.847023">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977716" y3="3.204247" z3="-1.481008">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645682" y3="1.615606" z3="-1.821874">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.33394" y3="2.821293" z3="-0.350574">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153255" y3="2.608655" z3="1.41183">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560727" y3="-1.570778" z3="-1.402229">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121328" y3="-0.384754" z3="-2.554158">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.351026" y3="0.0277" z3="-2.964052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104676" y3="-1.905069" z3="0.835548">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458128" y3="-2.289132" z3="1.902811">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.74837" y3="-2.605356" z3="0.981483">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.747054" y3="-0.429041" z3="-2.579745">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.45587" y3="-1.758301" z3="-0.591105">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583491" y3="-2.285507" z3="-2.790572">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430946" y3="-1.895148" z3="-1.501975">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5717,.387;.8417,.0761,2.4884;-1.3023,2.1034,3.6612;4.4224,1.4118,-.343;-3.2327,1.1449,2.9674;-6.3225,-3.7352,-.7694;-7.0374,-1.7245,.008;-.2257,1.7312,1.1353;2.3919,.3758,-.2921;-5.7538,-.3839,-2.0287;-6.038,1.7606,-1.8162;4.8662,-3.8545,.6425;-6.3716,.0571,-3.1477;-6.5185,1.3389,-3.0112;.4968,2.1463,-.0636;1.7464,1.3877,.4908;.7798,.9007,1.6041;-1.6169,1.7914,1.3359;-2.4211,2.0241,.2716;-1.9542,2.1544,-1.1659;-3.9039,2.1999,.4372;3.7084,.4652,-.6564;-2.0943,1.6603,2.7976;4.2175,-.7031,-1.5103;5.6685,-1.0422,-1.2321;6.0751,-1.7982,-.1122;6.6538,-.5586,-2.1016;-5.5663,.6733,-1.2076;5.0897,-2.3655,.8792;7.4394,-2.0404,.1057;8.0072,-.815,-1.8855;8.4051,-1.5598,-.7754;-5.4728,-1.7981,-1.8221;-6.3899,-2.485,-.7505;1.8529,-.4283,-.5829;5.7417,-4.3777,.7359;4.201,-4.2425,1.3184;4.5004,-4.0424,-.2952;.5917,3.2302,-.1597;2.5165,2.0743,.847;-1.9777,3.2042,-1.481;-2.6457,1.6156,-1.8219;-4.3339,2.8213,-.3506;-4.1533,2.6087,1.4118;3.5607,-1.5708,-1.4022;4.1213,-.3848,-2.5542;6.351,.0277,-2.9641;4.1047,-1.9051,.8355;5.4581,-2.2891,1.9028;7.7484,-2.6054,.9815;8.7471,-.429,-2.5797;9.4559,-1.7583,-.5911;-5.5835,-2.2855,-2.7906;-4.4309,-1.8951,-1.502;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772443 0.0391873 0.0375314</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.29465" y3="1.458253" z3="-1.568752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827783" y3="0.571725" z3="0.387073">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841917" y3="0.076589" z3="2.4885">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302252" y3="2.103882" z3="3.661122">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422292" y3="1.412136" z3="-0.343516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232617" y3="1.145107" z3="2.967419">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.321921" y3="-3.735517" z3="-0.76913">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037001" y3="-1.724874" z3="0.008267">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225608" y3="1.731466" z3="1.135241">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391904" y3="0.375978" z3="-0.292132">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753695" y3="-0.38416" z3="-2.028471">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038056" y3="1.760303" z3="-1.81611">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.86571" y3="-3.854809" z3="0.641839">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371669" y3="0.056793" z3="-3.147476">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518609" y3="1.338521" z3="-3.011058">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496814" y3="2.146457" z3="-0.063727">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746501" y3="1.387914" z3="0.490662">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.77993" y3="0.901043" z3="1.604072">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616841" y3="1.791666" z3="1.335828">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421079" y3="2.024225" z3="0.27147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954178" y3="2.154461" z3="-1.165969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903866" y3="2.199999" z3="0.43707">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.7084" y3="0.465371" z3="-0.656658">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094191" y3="1.660613" z3="2.797532">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217498" y3="-0.703064" z3="-1.510372">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668498" y3="-1.042207" z3="-1.231983">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.074921" y3="-1.798404" z3="-0.11219">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653881" y3="-0.558269" z3="-2.101216">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566267" y3="0.673159" z3="-1.207494">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.0893" y3="-2.365885" z3="0.879003">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439115" y3="-2.040648" z3="0.105813">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007218" y3="-0.814737" z3="-1.884949">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405027" y3="-1.559807" z3="-0.774951">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472506" y3="-1.798335" z3="-1.821875">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389477" y3="-2.485247" z3="-0.750264">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852871" y3="-0.428219" z3="-0.582788">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741149" y3="-4.378135" z3="0.735123">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200412" y3="-4.242986" z3="1.317547">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.499939" y3="-4.042363" z3="-0.296004">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591785" y3="3.230378" z3="-0.159903">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516607" y3="2.074589" z3="0.846775">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977683" y3="3.204329" z3="-1.481103">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.64565" y3="1.61568" z3="-1.821952">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333889" y3="2.821268" z3="-0.350735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153203" y3="2.608777" z3="1.411707">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560685" y3="-1.570725" z3="-1.402144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121367" y3="-0.384873" z3="-2.554241">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.351218" y3="0.028225" z3="-2.963528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104376" y3="-1.905345" z3="0.835431">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.457779" y3="-2.289886" z3="1.902602">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.747994" y3="-2.605875" z3="0.981503">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.74722" y3="-0.428514" z3="-2.578928">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455739" y3="-1.758339" z3="-0.590556">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583117" y3="-2.285758" z3="-2.790324">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430607" y3="-1.895132" z3="-1.501761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4583,-1.5688;-4.8278,.5717,.3871;.8419,.0766,2.4885;-1.3023,2.1039,3.6611;4.4223,1.4121,-.3435;-3.2326,1.1451,2.9674;-6.3219,-3.7355,-.7691;-7.037,-1.7249,.0083;-.2256,1.7315,1.1352;2.3919,.376,-.2921;-5.7537,-.3842,-2.0285;-6.0381,1.7603,-1.8161;4.8657,-3.8548,.6418;-6.3717,.0568,-3.1475;-6.5186,1.3385,-3.0111;.4968,2.1465,-.0637;1.7465,1.3879,.4907;.7799,.901,1.6041;-1.6168,1.7917,1.3358;-2.4211,2.0242,.2715;-1.9542,2.1545,-1.166;-3.9039,2.2,.4371;3.7084,.4654,-.6567;-2.0942,1.6606,2.7975;4.2175,-.7031,-1.5104;5.6685,-1.0422,-1.232;6.0749,-1.7984,-.1122;6.6539,-.5583,-2.1012;-5.5663,.6732,-1.2075;5.0893,-2.3659,.879;7.4391,-2.0406,.1058;8.0072,-.8147,-1.8849;8.405,-1.5598,-.775;-5.4725,-1.7983,-1.8219;-6.3895,-2.4852,-.7503;1.8529,-.4282,-.5828;5.7411,-4.3781,.7351;4.2004,-4.243,1.3175;4.4999,-4.0424,-.296;.5918,3.2304,-.1599;2.5166,2.0746,.8468;-1.9777,3.2043,-1.4811;-2.6456,1.6157,-1.822;-4.3339,2.8213,-.3507;-4.1532,2.6088,1.4117;3.5607,-1.5707,-1.4021;4.1214,-.3849,-2.5542;6.3512,.0282,-2.9635;4.1044,-1.9053,.8354;5.4578,-2.2899,1.9026;7.748,-2.6059,.9815;8.7472,-.4285,-2.5789;9.4557,-1.7583,-.5906;-5.5831,-2.2858,-2.7903;-4.4306,-1.8951,-1.5018;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772344 0.0391893 0.0375327</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294721" y3="1.458158" z3="-1.568718">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.828008" y3="0.571892" z3="0.387056">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841738" y3="0.076368" z3="2.488548">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302349" y3="2.103706" z3="3.661123">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422247" y3="1.411854" z3="-0.343283">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232796" y3="1.145111" z3="2.967423">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322086" y3="-3.735289" z3="-0.769274">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037132" y3="-1.724633" z3="0.008112">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225726" y3="1.731268" z3="1.135268">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391793" y3="0.375808" z3="-0.292076">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753694" y3="-0.383945" z3="-2.028594">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038065" y3="1.760511" z3="-1.816223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866245" y3="-3.854804" z3="0.642145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371571" y3="0.057021" z3="-3.147645">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518521" y3="1.338745" z3="-3.011216">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496742" y3="2.146294" z3="-0.063656">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746396" y3="1.387713" z3="0.490746">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779781" y3="0.900823" z3="1.604118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616958" y3="1.791537" z3="1.335834">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421164" y3="2.024174" z3="0.271468">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954232" y3="2.154417" z3="-1.165956">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903936" y3="2.200077" z3="0.43706">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708323" y3="0.465136" z3="-0.656493">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094329" y3="1.660519" z3="2.79753">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.21739" y3="-0.703311" z3="-1.510201">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668455" y3="-1.042307" z3="-1.231992">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075099" y3="-1.798316" z3="-0.112149">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653675" y3="-0.558385" z3="-2.101417">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566318" y3="0.67336" z3="-1.20759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089645" y3="-2.36583" z3="0.879181">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439344" y3="-2.040417" z3="0.105701">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007066" y3="-0.814712" z3="-1.885298">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405094" y3="-1.5596" z3="-0.775255">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472562" y3="-1.798127" z3="-1.821969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389606" y3="-2.48502" z3="-0.750407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852762" y3="-0.428382" z3="-0.58276">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741749" y3="-4.378008" z3="0.735494">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200981" y3="-4.243008" z3="1.317864">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500505" y3="-4.042455" z3="-0.295691">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591724" y3="3.230218" z3="-0.159791">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516507" y3="2.074355" z3="0.846913">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977713" y3="3.204289" z3="-1.481081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645698" y3="1.615657" z3="-1.821963">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333917" y3="2.821381" z3="-0.350741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153243" y3="2.608875" z3="1.411697">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560646" y3="-1.571007" z3="-1.401807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121074" y3="-0.385227" z3="-2.554085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350849" y3="0.027971" z3="-2.963765">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104649" y3="-1.905442" z3="0.835623">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458171" y3="-2.289676" z3="1.90275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748382" y3="-2.605517" z3="0.981411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746936" y3="-0.42852" z3="-2.579434">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455848" y3="-1.758004" z3="-0.590969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583138" y3="-2.285543" z3="-2.790425">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430682" y3="-1.894961" z3="-1.5018">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4582,-1.5687;-4.828,.5719,.3871;.8417,.0764,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7246,.0081;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7537,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6421;-6.3716,.057,-3.1476;-6.5185,1.3387,-3.0112;.4967,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5663,.6734,-1.2076;5.0896,-2.3658,.8792;7.4393,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.201,-4.243,1.3179;4.5005,-4.0425,-.2957;.5917,3.2302,-.1598;2.5165,2.0744,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3507;-4.1532,2.6089,1.4117;3.5606,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3508,.028,-2.9638;4.1046,-1.9054,.8356;5.4582,-2.2897,1.9027;7.7484,-2.6055,.9814;8.7469,-.4285,-2.5794;9.4558,-1.758,-.591;-5.5831,-2.2855,-2.7904;-4.4307,-1.895,-1.5018;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772407 0.0391883 0.0375321</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.2947" y3="1.458076" z3="-1.568719">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.828023" y3="0.571891" z3="0.387027">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841641" y3="0.076257" z3="2.488516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302349" y3="2.103675" z3="3.661094">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422236" y3="1.411784" z3="-0.343248">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232848" y3="1.145186" z3="2.967395">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.321969" y3="-3.735253" z3="-0.769287">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037112" y3="-1.724628" z3="0.008116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225729" y3="1.731243" z3="1.135263">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.3918" y3="0.375704" z3="-0.292046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753859" y3="-0.383856" z3="-2.028611">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038302" y3="1.760579" z3="-1.816088">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866299" y3="-3.85477" z3="0.642198">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371844" y3="0.057155" z3="-3.147583">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518824" y3="1.338865" z3="-3.011072">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496765" y3="2.146238" z3="-0.063661">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746392" y3="1.387617" z3="0.490765">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779737" y3="0.900748" z3="1.604117">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616969" y3="1.791533" z3="1.335808">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.42116" y3="2.024162" z3="0.271428">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954201" y3="2.154381" z3="-1.165993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903938" y3="2.200071" z3="0.437004">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708336" y3="0.465047" z3="-0.656454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094355" y3="1.660534" z3="2.797498">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217431" y3="-0.703397" z3="-1.510148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.66851" y3="-1.042333" z3="-1.23198">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075204" y3="-1.798309" z3="-0.112129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653691" y3="-0.558405" z3="-2.101444">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566462" y3="0.673411" z3="-1.207558">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089778" y3="-2.365802" z3="0.879244">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439465" y3="-2.040339" z3="0.105708">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007097" y3="-0.814681" z3="-1.885351">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405176" y3="-1.559511" z3="-0.775291">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472676" y3="-1.798044" z3="-1.822072">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389581" y3="-2.484984" z3="-0.750428">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852798" y3="-0.428527" z3="-0.582676">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741758" y3="-4.378049" z3="0.735558">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200989" y3="-4.24293" z3="1.317897">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500578" y3="-4.042408" z3="-0.295649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591758" y3="3.230158" z3="-0.159816">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516515" y3="2.074227" z3="0.846969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977651" y3="3.20425" z3="-1.48113">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645668" y3="1.615636" z3="-1.822008">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333916" y3="2.821378" z3="-0.350796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153235" y3="2.608876" z3="1.411643">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560732" y3="-1.571117" z3="-1.401714">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121058" y3="-0.385348" z3="-2.55404">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350833" y3="0.027933" z3="-2.963792">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104793" y3="-1.905372" z3="0.835762">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458354" y3="-2.289688" z3="1.902796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748553" y3="-2.605363" z3="0.981452">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746936" y3="-0.428492" z3="-2.579521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455942" y3="-1.757882" z3="-0.591037">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583379" y3="-2.285436" z3="-2.790526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430754" y3="-1.8949" z3="-1.502051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8416,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3432;-3.2328,1.1452,2.9674;-6.322,-3.7353,-.7693;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3757,-.292;-5.7539,-.3839,-2.0286;-6.0383,1.7606,-1.8161;4.8663,-3.8548,.6422;-6.3718,.0572,-3.1476;-6.5188,1.3389,-3.0111;.4968,2.1462,-.0637;1.7464,1.3876,.4908;.7797,.9007,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2714;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.465,-.6565;-2.0944,1.6605,2.7975;4.2174,-.7034,-1.5101;5.6685,-1.0423,-1.232;6.0752,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5665,.6734,-1.2076;5.0898,-2.3658,.8792;7.4395,-2.0403,.1057;8.0071,-.8147,-1.8854;8.4052,-1.5595,-.7753;-5.4727,-1.798,-1.8221;-6.3896,-2.485,-.7504;1.8528,-.4285,-.5827;5.7418,-4.378,.7356;4.201,-4.2429,1.3179;4.5006,-4.0424,-.2956;.5918,3.2302,-.1598;2.5165,2.0742,.847;-1.9777,3.2043,-1.4811;-2.6457,1.6156,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4116;3.5607,-1.5711,-1.4017;4.1211,-.3853,-2.554;6.3508,.0279,-2.9638;4.1048,-1.9054,.8358;5.4584,-2.2897,1.9028;7.7486,-2.6054,.9815;8.7469,-.4285,-2.5795;9.4559,-1.7579,-.591;-5.5834,-2.2854,-2.7905;-4.4308,-1.8949,-1.5021;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772457 0.0391875 0.0375315</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294705" y3="1.458153" z3="-1.568735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827971" y3="0.571855" z3="0.387052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841756" y3="0.076338" z3="2.488503">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302316" y3="2.103679" z3="3.661114">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422259" y3="1.411869" z3="-0.343319">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232769" y3="1.145098" z3="2.967409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322061" y3="-3.735317" z3="-0.769307">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.03707" y3="-1.724687" z3="0.00818">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.2257" y3="1.731269" z3="1.135253">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391819" y3="0.375801" z3="-0.292104">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.75377" y3="-0.383938" z3="-2.028573">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038159" y3="1.76051" z3="-1.816136">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866161" y3="-3.854767" z3="0.642151">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371714" y3="0.057049" z3="-3.147581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518666" y3="1.338769" z3="-3.011116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496763" y3="2.14629" z3="-0.063676">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746419" y3="1.387703" z3="0.49072">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779805" y3="0.900812" z3="1.604091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616932" y3="1.791535" z3="1.335822">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421144" y3="2.024168" z3="0.271459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954214" y3="2.154415" z3="-1.165968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903922" y3="2.200053" z3="0.437055">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708346" y3="0.465143" z3="-0.656529">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094298" y3="1.660502" z3="2.797518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217434" y3="-0.703299" z3="-1.510232">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668492" y3="-1.042297" z3="-1.231992">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075108" y3="-1.798321" z3="-0.112147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653728" y3="-0.558384" z3="-2.101399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566369" y3="0.673349" z3="-1.207553">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.08963" y3="-2.3658" z3="0.879179">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439346" y3="-2.040425" z3="0.105731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007113" y3="-0.814717" z3="-1.885256">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405114" y3="-1.559608" z3="-0.775207">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.47261" y3="-1.798123" z3="-1.821999">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389584" y3="-2.485048" z3="-0.7504">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852795" y3="-0.428395" z3="-0.582788">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741632" y3="-4.378022" z3="0.735518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200868" y3="-4.242927" z3="1.317868">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500424" y3="-4.042418" z3="-0.295685">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591748" y3="3.230213" z3="-0.159815">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516529" y3="2.074343" z3="0.846892">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977693" y3="3.204287" z3="-1.481093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645685" y3="1.615658" z3="-1.821972">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333907" y3="2.821352" z3="-0.350747">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.15323" y3="2.608853" z3="1.411691">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560698" y3="-1.571001" z3="-1.401858">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121143" y3="-0.385201" z3="-2.554115">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350922" y3="0.027982" z3="-2.963749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104653" y3="-1.905367" z3="0.835619">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458156" y3="-2.289665" z3="1.902752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.74837" y3="-2.605513" z3="0.981455">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746999" y3="-0.428525" z3="-2.579375">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455865" y3="-1.758018" z3="-0.590902">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583246" y3="-2.285515" z3="-2.790461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430708" y3="-1.894961" z3="-1.501903">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4582,-1.5687;-4.828,.5719,.3871;.8418,.0763,2.4885;-1.3023,2.1037,3.6611;4.4223,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0382,1.7605,-1.8161;4.8662,-3.8548,.6422;-6.3717,.057,-3.1476;-6.5187,1.3388,-3.0111;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4211,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6733,-1.2076;5.0896,-2.3658,.8792;7.4393,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7416,-4.378,.7355;4.2009,-4.2429,1.3179;4.5004,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3507;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4019;4.1211,-.3852,-2.5541;6.3509,.028,-2.9637;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9028;7.7484,-2.6055,.9815;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7905;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772423 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294711" y3="1.458143" z3="-1.568723">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827988" y3="0.571872" z3="0.387043">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841731" y3="0.076326" z3="2.488518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302333" y3="2.103677" z3="3.661121">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422242" y3="1.411846" z3="-0.343306">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232795" y3="1.145116" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322041" y3="-3.735299" z3="-0.769313">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037079" y3="-1.724671" z3="0.00815">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225714" y3="1.731261" z3="1.135265">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391803" y3="0.375776" z3="-0.292079">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753764" y3="-0.383921" z3="-2.028592">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038151" y3="1.760528" z3="-1.816157">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866213" y3="-3.854772" z3="0.642177">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371694" y3="0.057068" z3="-3.147606">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518647" y3="1.338788" z3="-3.011142">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496755" y3="2.146278" z3="-0.063662">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746406" y3="1.387686" z3="0.490739">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779786" y3="0.900801" z3="1.604107">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616946" y3="1.791537" z3="1.335829">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421154" y3="2.024174" z3="0.271462">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954217" y3="2.154415" z3="-1.165963">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903931" y3="2.200065" z3="0.437051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.70833" y3="0.465116" z3="-0.656508">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094319" y3="1.660508" z3="2.797523">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217414" y3="-0.703329" z3="-1.510207">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.66848" y3="-1.04231" z3="-1.231991">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075125" y3="-1.798316" z3="-0.112145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653695" y3="-0.558397" z3="-2.101423">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566369" y3="0.673366" z3="-1.20757">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089671" y3="-2.365803" z3="0.879201">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.43937" y3="-2.040402" z3="0.105711">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007087" y3="-0.814712" z3="-1.885302">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405117" y3="-1.559584" z3="-0.77525">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472604" y3="-1.798106" z3="-1.822016">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389578" y3="-2.485031" z3="-0.750417">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852781" y3="-0.428425" z3="-0.582749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741691" y3="-4.37802" z3="0.73553">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200936" y3="-4.242937" z3="1.317906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500462" y3="-4.042428" z3="-0.295652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591744" y3="3.230201" z3="-0.159801">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516519" y3="2.074321" z3="0.846911">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.97769" y3="3.204286" z3="-1.48109">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.64569" y3="1.61566" z3="-1.821968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.33391" y3="2.821367" z3="-0.350752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153242" y3="2.608864" z3="1.411687">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560688" y3="-1.571037" z3="-1.401813">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121099" y3="-0.385244" z3="-2.554092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350867" y3="0.027954" z3="-2.963774">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104689" y3="-1.905382" z3="0.835663">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458217" y3="-2.289665" z3="1.902766">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748416" y3="-2.605479" z3="0.981434">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746956" y3="-0.428522" z3="-2.579441">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455872" y3="-1.757982" z3="-0.590962">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583241" y3="-2.285499" z3="-2.790477">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430702" y3="-1.894944" z3="-1.50192">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.322,-3.7353,-.7693;-7.0371,-1.7247,.0081;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0382,1.7605,-1.8162;4.8662,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0111;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5827;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5005,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9638;4.1047,-1.9054,.8357;5.4582,-2.2897,1.9028;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.591;-5.5832,-2.2855,-2.7905;-4.4307,-1.8949,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772422 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294709" y3="1.458149" z3="-1.568734">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827978" y3="0.571862" z3="0.387051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841756" y3="0.076342" z3="2.488508">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302318" y3="2.103684" z3="3.661113">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422256" y3="1.411865" z3="-0.343311">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232775" y3="1.145109" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322066" y3="-3.735309" z3="-0.769291">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037079" y3="-1.724675" z3="0.008179">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225705" y3="1.731266" z3="1.135254">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391815" y3="0.375798" z3="-0.292099">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.75377" y3="-0.383937" z3="-2.028576">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038144" y3="1.760514" z3="-1.816149">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866176" y3="-3.854776" z3="0.642143">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371702" y3="0.057051" z3="-3.147591">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518646" y3="1.338772" z3="-3.011131">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496759" y3="2.146288" z3="-0.063675">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746415" y3="1.387703" z3="0.490722">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779802" y3="0.900814" z3="1.604095">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616936" y3="1.791537" z3="1.335822">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421148" y3="2.02417" z3="0.271458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954217" y3="2.154412" z3="-1.165969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903925" y3="2.200056" z3="0.437053">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708344" y3="0.465137" z3="-0.65652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094302" y3="1.660508" z3="2.797518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217431" y3="-0.703304" z3="-1.510223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668491" y3="-1.042299" z3="-1.231988">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075112" y3="-1.798321" z3="-0.112145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653723" y3="-0.558382" z3="-2.101399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566366" y3="0.673352" z3="-1.207559">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089639" y3="-2.36581" z3="0.879181">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439352" y3="-2.040419" z3="0.105729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.00711" y3="-0.814709" z3="-1.885259">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405116" y3="-1.559598" z3="-0.775211">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472616" y3="-1.798122" z3="-1.821997">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389591" y3="-2.48504" z3="-0.750393">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852793" y3="-0.428402" z3="-0.582776">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.74165" y3="-4.378028" z3="0.735506">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200886" y3="-4.242943" z3="1.317859">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500439" y3="-4.042423" z3="-0.295694">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591742" y3="3.23021" z3="-0.159814">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516526" y3="2.074343" z3="0.846891">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977697" y3="3.204283" z3="-1.481097">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645689" y3="1.615653" z3="-1.821971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333909" y3="2.821357" z3="-0.350749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153232" y3="2.608857" z3="1.411689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560697" y3="-1.571008" z3="-1.401847">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121134" y3="-0.385208" z3="-2.554106">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350912" y3="0.027982" z3="-2.963748">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.10466" y3="-1.905382" z3="0.835629">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458168" y3="-2.28968" z3="1.902752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748381" y3="-2.605507" z3="0.981451">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746992" y3="-0.428515" z3="-2.579381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455868" y3="-1.758004" z3="-0.590908">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.58326" y3="-2.285517" z3="-2.790456">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430714" y3="-1.894965" z3="-1.501906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.3871;.8418,.0763,2.4885;-1.3023,2.1037,3.6611;4.4223,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8161;4.8662,-3.8548,.6421;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0111;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4211,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0896,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7416,-4.378,.7355;4.2009,-4.2429,1.3179;4.5004,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3507;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9637;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9028;7.7484,-2.6055,.9815;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5833,-2.2855,-2.7905;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772423 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294713" y3="1.458132" z3="-1.568715">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827999" y3="0.571879" z3="0.387033">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841717" y3="0.076314" z3="2.488532">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302347" y3="2.103665" z3="3.661127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422236" y3="1.411825" z3="-0.343289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232811" y3="1.145114" z3="2.967411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322071" y3="-3.735281" z3="-0.769337">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037096" y3="-1.724649" z3="0.00813">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225724" y3="1.731248" z3="1.135273">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391795" y3="0.375759" z3="-0.292063">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753771" y3="-0.383904" z3="-2.028608">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038145" y3="1.760546" z3="-1.816169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866257" y3="-3.854767" z3="0.642217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371694" y3="0.057092" z3="-3.147625">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518638" y3="1.338812" z3="-3.011157">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496751" y3="2.146264" z3="-0.063651">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746398" y3="1.38767" z3="0.490753">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779774" y3="0.900787" z3="1.604119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616955" y3="1.791528" z3="1.335833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421159" y3="2.02417" z3="0.271464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954217" y3="2.15441" z3="-1.165959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903935" y3="2.200067" z3="0.437049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708322" y3="0.465097" z3="-0.65649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094332" y3="1.6605" z3="2.797526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217405" y3="-0.70335" z3="-1.510189">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668478" y3="-1.042317" z3="-1.231992">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075145" y3="-1.798311" z3="-0.112147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653675" y3="-0.558406" z3="-2.101445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566373" y3="0.67338" z3="-1.207583">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089711" y3="-2.365794" z3="0.879221">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439395" y3="-2.040386" z3="0.105689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007072" y3="-0.814711" z3="-1.885344">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405125" y3="-1.55957" z3="-0.775292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472621" y3="-1.798091" z3="-1.822035">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.3896" y3="-2.485012" z3="-0.750438">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852774" y3="-0.428444" z3="-0.58273">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741738" y3="-4.37801" z3="0.735566">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.20099" y3="-4.242927" z3="1.317959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500495" y3="-4.042435" z3="-0.295605">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591742" y3="3.230186" z3="-0.159789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516511" y3="2.074304" z3="0.846927">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977684" y3="3.204282" z3="-1.481085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.61566" z3="-1.821967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333909" y3="2.821373" z3="-0.350755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153248" y3="2.608865" z3="1.411685">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560688" y3="-1.571063" z3="-1.401778">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121071" y3="-0.385273" z3="-2.554074">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350829" y3="0.027935" z3="-2.963797">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104725" y3="-1.905379" z3="0.835694">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458273" y3="-2.289643" z3="1.902779">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748459" y3="-2.605453" z3="0.981412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746927" y3="-0.428522" z3="-2.579498">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455885" y3="-1.757959" z3="-0.591019">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583261" y3="-2.285482" z3="-2.790497">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430719" y3="-1.894937" z3="-1.50194">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7034,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5827;5.7417,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6055,.9814;8.7469,-.4285,-2.5795;9.4559,-1.758,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772424 0.0391879 0.0375319</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294709" y3="1.458146" z3="-1.568728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827986" y3="0.571871" z3="0.387045">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.84174" y3="0.076328" z3="2.488515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302331" y3="2.103673" z3="3.661118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422248" y3="1.411852" z3="-0.343302">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232791" y3="1.14511" z3="2.967406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322064" y3="-3.735298" z3="-0.769289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.03709" y3="-1.724662" z3="0.008164">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225712" y3="1.731259" z3="1.135261">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391808" y3="0.375784" z3="-0.292086">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753768" y3="-0.383928" z3="-2.028585">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038137" y3="1.760524" z3="-1.816164">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866203" y3="-3.854775" z3="0.642163">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371692" y3="0.05706" z3="-3.147605">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518633" y3="1.338782" z3="-3.011148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496756" y3="2.14628" z3="-0.063665">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746409" y3="1.387691" z3="0.490734">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779791" y3="0.900802" z3="1.604103">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616943" y3="1.791534" z3="1.335825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421151" y3="2.024172" z3="0.271459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954216" y3="2.154415" z3="-1.165966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903928" y3="2.200063" z3="0.437049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708336" y3="0.465124" z3="-0.65651">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094315" y3="1.660504" z3="2.797519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217422" y3="-0.703318" z3="-1.510213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668486" y3="-1.042304" z3="-1.23199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075122" y3="-1.798318" z3="-0.112146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653707" y3="-0.558388" z3="-2.101413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566365" y3="0.673361" z3="-1.207569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.08966" y3="-2.365807" z3="0.879191">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439365" y3="-2.040407" z3="0.105716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007098" y3="-0.814707" z3="-1.885285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405119" y3="-1.559587" z3="-0.775236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472617" y3="-1.798114" z3="-1.822003">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389594" y3="-2.485029" z3="-0.7504">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852785" y3="-0.428416" z3="-0.582762">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741679" y3="-4.378023" z3="0.735523">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200919" y3="-4.242941" z3="1.317886">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500459" y3="-4.042429" z3="-0.29567">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591743" y3="3.230202" z3="-0.159802">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516521" y3="2.074327" z3="0.846906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977691" y3="3.204287" z3="-1.481092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645688" y3="1.615661" z3="-1.821972">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333909" y3="2.821364" z3="-0.350753">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153238" y3="2.608863" z3="1.411686">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560694" y3="-1.571025" z3="-1.401827">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121113" y3="-0.385227" z3="-2.554096">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350886" y3="0.027969" z3="-2.963763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104679" y3="-1.905384" z3="0.835646">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458199" y3="-2.28967" z3="1.902758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748406" y3="-2.605489" z3="0.981438">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746971" y3="-0.428514" z3="-2.579417">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455873" y3="-1.757987" z3="-0.590942">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.58326" y3="-2.285511" z3="-2.790462">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430715" y3="-1.894958" z3="-1.50191">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0111;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5005,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9638;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9028;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5833,-2.2855,-2.7905;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772424 0.0391880 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294716" y3="1.458121" z3="-1.568708">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.828007" y3="0.57188" z3="0.387025">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841708" y3="0.076303" z3="2.488542">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302356" y3="2.103656" z3="3.661132">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.42223" y3="1.41181" z3="-0.343281">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.23282" y3="1.145107" z3="2.967413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322093" y3="-3.735268" z3="-0.769371">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037102" y3="-1.724638" z3="0.008114">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225729" y3="1.731236" z3="1.13528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391789" y3="0.375744" z3="-0.292051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.75378" y3="-0.383886" z3="-2.028623">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038146" y3="1.760564" z3="-1.816172">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866293" y3="-3.854757" z3="0.642257">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371699" y3="0.057118" z3="-3.147638">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.51864" y3="1.338838" z3="-3.011163">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496747" y3="2.146252" z3="-0.063643">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746393" y3="1.387656" z3="0.490763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779768" y3="0.900776" z3="1.604129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616961" y3="1.791519" z3="1.335839">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421162" y3="2.024164" z3="0.271468">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154405" z3="-1.165955">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903939" y3="2.200065" z3="0.437051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708316" y3="0.46508" z3="-0.65648">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.09434" y3="1.660492" z3="2.797531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217397" y3="-0.703369" z3="-1.510176">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668476" y3="-1.042325" z3="-1.231995">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075162" y3="-1.798304" z3="-0.112146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653659" y3="-0.558419" z3="-2.101467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566379" y3="0.673392" z3="-1.207591">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089743" y3="-2.365781" z3="0.879241">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439416" y3="-2.04037" z3="0.105674">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.00706" y3="-0.814715" z3="-1.885381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405131" y3="-1.55956" z3="-0.775326">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472634" y3="-1.798076" z3="-1.822058">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389614" y3="-2.484999" z3="-0.750463">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852768" y3="-0.428461" z3="-0.582714">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741775" y3="-4.377996" z3="0.735603">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.201033" y3="-4.242911" z3="1.318011">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.50052" y3="-4.042438" z3="-0.295559">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.59174" y3="3.230174" z3="-0.159781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516507" y3="2.07429" z3="0.846937">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977681" y3="3.204277" z3="-1.481079">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645692" y3="1.615658" z3="-1.821964">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333908" y3="2.821376" z3="-0.350751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153252" y3="2.608859" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560688" y3="-1.571085" z3="-1.401751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121049" y3="-0.3853" z3="-2.554062">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350798" y3="0.02791" z3="-2.963821">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104755" y3="-1.90537" z3="0.835721">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458319" y3="-2.289616" z3="1.902793">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748495" y3="-2.605424" z3="0.9814">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746903" y3="-0.428532" z3="-2.57955">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455895" y3="-1.757941" z3="-0.591064">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.58328" y3="-2.28546" z3="-2.790522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430732" y3="-1.894928" z3="-1.501967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3024,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7694;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3757,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7606,-1.8162;4.8663,-3.8548,.6423;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4967,2.1463,-.0636;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7034,-1.5102;5.6685,-1.0423,-1.232;6.0752,-1.7983,-.1121;6.6537,-.5584,-2.1015;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8854;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.8221;-6.3896,-2.485,-.7505;1.8528,-.4285,-.5827;5.7418,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1533,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.121,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1048,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6054,.9814;8.7469,-.4285,-2.5795;9.4559,-1.7579,-.5911;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.502;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772426 0.0391878 0.0375318</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.29471" y3="1.458151" z3="-1.568732">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827982" y3="0.571868" z3="0.38705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841749" y3="0.076335" z3="2.488509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302323" y3="2.103677" z3="3.661116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422251" y3="1.411862" z3="-0.343308">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232783" y3="1.145112" z3="2.967408">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322058" y3="-3.735304" z3="-0.769271">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037086" y3="-1.724666" z3="0.008174">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225708" y3="1.731263" z3="1.135256">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391811" y3="0.375794" z3="-0.292095">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753762" y3="-0.383939" z3="-2.028578">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038129" y3="1.760514" z3="-1.816165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.86618" y3="-3.854778" z3="0.642142">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371683" y3="0.057045" z3="-3.1476">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518624" y3="1.338768" z3="-3.011148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496757" y3="2.146286" z3="-0.063671">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746412" y3="1.387699" z3="0.490727">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779797" y3="0.900808" z3="1.604097">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616939" y3="1.791536" z3="1.335824">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.42115" y3="2.024173" z3="0.271459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954217" y3="2.154417" z3="-1.165967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903927" y3="2.200061" z3="0.437052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.70834" y3="0.465135" z3="-0.656518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094308" y3="1.660507" z3="2.797519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217427" y3="-0.703306" z3="-1.510222">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668488" y3="-1.042299" z3="-1.23199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075112" y3="-1.79832" z3="-0.112147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653718" y3="-0.558381" z3="-2.101402">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.56636" y3="0.673353" z3="-1.207565">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.08964" y3="-2.365812" z3="0.87918">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439352" y3="-2.040416" z3="0.105726">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007106" y3="-0.814706" z3="-1.885264">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405115" y3="-1.559594" z3="-0.775216">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472611" y3="-1.798124" z3="-1.82199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389589" y3="-2.485035" z3="-0.750386">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852789" y3="-0.428405" z3="-0.582773">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741653" y3="-4.378029" z3="0.735506">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.20089" y3="-4.242945" z3="1.317858">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500442" y3="-4.042426" z3="-0.295694">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591742" y3="3.230208" z3="-0.159808">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516523" y3="2.074337" z3="0.846898">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977695" y3="3.204289" z3="-1.481093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.64569" y3="1.615661" z3="-1.821971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.33391" y3="2.821362" z3="-0.35075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153235" y3="2.608862" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560695" y3="-1.571011" z3="-1.401845">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121128" y3="-0.385209" z3="-2.554105">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350906" y3="0.027982" z3="-2.963751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104661" y3="-1.905386" z3="0.835629">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.45817" y3="-2.289681" z3="1.90275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748384" y3="-2.605504" z3="0.981447">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746987" y3="-0.428511" z3="-2.579387">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455867" y3="-1.757999" z3="-0.590914">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583253" y3="-2.285523" z3="-2.790448">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430709" y3="-1.894967" z3="-1.501897">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4582,-1.5687;-4.828,.5719,.3871;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4223,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6421;-6.3717,.057,-3.1476;-6.5186,1.3388,-3.0111;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4211,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0896,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5004,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9638;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9027;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5833,-2.2855,-2.7904;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772422 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294715" y3="1.458124" z3="-1.568713">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.828003" y3="0.571878" z3="0.387029">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841717" y3="0.07631" z3="2.488538">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302349" y3="2.10366" z3="3.661129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422233" y3="1.411818" z3="-0.34329">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232813" y3="1.145107" z3="2.967414">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322087" y3="-3.735274" z3="-0.769359">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.0371" y3="-1.724644" z3="0.008123">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225725" y3="1.73124" z3="1.135276">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391793" y3="0.37575" z3="-0.292059">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.75378" y3="-0.383892" z3="-2.028616">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038147" y3="1.760557" z3="-1.816167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866276" y3="-3.85476" z3="0.642239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371702" y3="0.05711" z3="-3.14763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518642" y3="1.33883" z3="-3.011157">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496749" y3="2.146256" z3="-0.063649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746397" y3="1.387663" z3="0.490756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779774" y3="0.900782" z3="1.604123">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616957" y3="1.791522" z3="1.335836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.42116" y3="2.024164" z3="0.271467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154405" z3="-1.165957">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903936" y3="2.200064" z3="0.437051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.70832" y3="0.465088" z3="-0.656488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094333" y3="1.660495" z3="2.797529">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217402" y3="-0.703362" z3="-1.510183">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668478" y3="-1.042322" z3="-1.231993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075155" y3="-1.798307" z3="-0.112145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653668" y3="-0.558414" z3="-2.101456">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566378" y3="0.673387" z3="-1.207586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089729" y3="-2.365786" z3="0.879233">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439407" y3="-2.040375" z3="0.105684">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007067" y3="-0.814713" z3="-1.885362">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405129" y3="-1.559563" z3="-0.775307">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472633" y3="-1.798082" z3="-1.822049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389611" y3="-2.485005" z3="-0.750453">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852772" y3="-0.428455" z3="-0.582721">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741757" y3="-4.378002" z3="0.735587">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.201012" y3="-4.242917" z3="1.317987">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500508" y3="-4.042435" z3="-0.29558">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.59174" y3="3.230178" z3="-0.159787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.51651" y3="2.074298" z3="0.846928">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977683" y3="3.204277" z3="-1.481082">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645693" y3="1.615656" z3="-1.821965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333908" y3="2.821373" z3="-0.35075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153249" y3="2.608859" z3="1.411689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560689" y3="-1.571076" z3="-1.401764">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121061" y3="-0.385291" z3="-2.554069">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350814" y3="0.02792" z3="-2.96381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104742" y3="-1.905373" z3="0.83571">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458298" y3="-2.289628" z3="1.902787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748479" y3="-2.605435" z3="0.981409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746916" y3="-0.428527" z3="-2.579524">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455891" y3="-1.757946" z3="-0.591038">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583278" y3="-2.285467" z3="-2.790514">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.43073" y3="-1.894932" z3="-1.501959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7694;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3757,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7606,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4967,2.1463,-.0636;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7034,-1.5102;5.6685,-1.0423,-1.232;6.0752,-1.7983,-.1121;6.6537,-.5584,-2.1015;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8854;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7505;1.8528,-.4285,-.5827;5.7418,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6054,.9814;8.7469,-.4285,-2.5795;9.4559,-1.7579,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.502;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772426 0.0391879 0.0375318</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.29471" y3="1.458153" z3="-1.568733">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827982" y3="0.571868" z3="0.387051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.84175" y3="0.076337" z3="2.488509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302322" y3="2.10368" z3="3.661115">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422252" y3="1.411864" z3="-0.343307">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232782" y3="1.145114" z3="2.967409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322053" y3="-3.735306" z3="-0.769266">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037085" y3="-1.724668" z3="0.008176">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225708" y3="1.731265" z3="1.135256">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391811" y3="0.375796" z3="-0.292096">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753759" y3="-0.383942" z3="-2.028577">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038127" y3="1.760511" z3="-1.816166">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866175" y3="-3.85478" z3="0.642137">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371679" y3="0.057041" z3="-3.1476">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.51862" y3="1.338763" z3="-3.011149">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496757" y3="2.146288" z3="-0.063671">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746412" y3="1.387702" z3="0.490726">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779797" y3="0.900811" z3="1.604097">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616939" y3="1.791538" z3="1.335823">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.42115" y3="2.024174" z3="0.271459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154418" z3="-1.165968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903927" y3="2.200062" z3="0.437052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.70834" y3="0.465137" z3="-0.656518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094307" y3="1.660509" z3="2.797519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217428" y3="-0.703303" z3="-1.510223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668487" y3="-1.042298" z3="-1.23199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075109" y3="-1.798322" z3="-0.112147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653719" y3="-0.558379" z3="-2.101399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566358" y3="0.673351" z3="-1.207565">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089636" y3="-2.365814" z3="0.879177">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439349" y3="-2.04042" z3="0.105726">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007106" y3="-0.814706" z3="-1.88526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405113" y3="-1.559597" z3="-0.775213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472607" y3="-1.798127" z3="-1.821987">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389586" y3="-2.485038" z3="-0.750383">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852789" y3="-0.428402" z3="-0.582774">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741648" y3="-4.378031" z3="0.7355">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200884" y3="-4.242948" z3="1.317852">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500438" y3="-4.042426" z3="-0.2957">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591741" y3="3.230211" z3="-0.159809">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516524" y3="2.07434" z3="0.846897">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977696" y3="3.20429" z3="-1.481093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.64569" y3="1.615662" z3="-1.821971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.33391" y3="2.821362" z3="-0.35075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153235" y3="2.608863" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560695" y3="-1.571007" z3="-1.401848">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.12113" y3="-0.385205" z3="-2.554106">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350909" y3="0.027987" z3="-2.963747">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104657" y3="-1.905387" z3="0.835625">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458165" y3="-2.289685" z3="1.902748">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748379" y3="-2.60551" z3="0.981447">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746988" y3="-0.42851" z3="-2.579382">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455865" y3="-1.758003" z3="-0.590911">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583247" y3="-2.285527" z3="-2.790444">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430705" y3="-1.894968" z3="-1.501892">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4582,-1.5687;-4.828,.5719,.3871;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4223,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6421;-6.3717,.057,-3.1476;-6.5186,1.3388,-3.0111;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4211,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0896,-2.3658,.8792;7.4393,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7416,-4.378,.7355;4.2009,-4.2429,1.3179;4.5004,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9637;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9027;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7904;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772421 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294715" y3="1.458122" z3="-1.568713">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.828003" y3="0.571877" z3="0.387028">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841717" y3="0.076309" z3="2.488538">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302349" y3="2.103658" z3="3.661129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422232" y3="1.411817" z3="-0.343292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232813" y3="1.145105" z3="2.967413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322089" y3="-3.735272" z3="-0.769362">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037102" y3="-1.724643" z3="0.008122">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225725" y3="1.731238" z3="1.135275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391793" y3="0.375748" z3="-0.292058">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753784" y3="-0.38389" z3="-2.028616">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038149" y3="1.76056" z3="-1.816165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.86628" y3="-3.85476" z3="0.642242">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371706" y3="0.057114" z3="-3.14763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518646" y3="1.338835" z3="-3.011155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496749" y3="2.146254" z3="-0.063649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746397" y3="1.387661" z3="0.490756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779774" y3="0.90078" z3="1.604123">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616957" y3="1.79152" z3="1.335836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.42116" y3="2.024163" z3="0.271467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154403" z3="-1.165957">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903936" y3="2.200064" z3="0.437051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.70832" y3="0.465085" z3="-0.656488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094334" y3="1.660493" z3="2.797529">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217402" y3="-0.703365" z3="-1.510182">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668478" y3="-1.042323" z3="-1.231993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075157" y3="-1.798306" z3="-0.112144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653667" y3="-0.558415" z3="-2.101457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.56638" y3="0.673388" z3="-1.207586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089732" y3="-2.365785" z3="0.879235">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.43941" y3="-2.040372" z3="0.105684">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007067" y3="-0.814712" z3="-1.885363">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405131" y3="-1.55956" z3="-0.775308">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472637" y3="-1.798079" z3="-1.822052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389613" y3="-2.485003" z3="-0.750455">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852772" y3="-0.428458" z3="-0.58272">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741761" y3="-4.3780" z3="0.73559">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.201016" y3="-4.242916" z3="1.317991">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500512" y3="-4.042435" z3="-0.295576">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.59174" y3="3.230176" z3="-0.159787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.51651" y3="2.074296" z3="0.846927">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977683" y3="3.204276" z3="-1.481082">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645693" y3="1.615656" z3="-1.821965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333908" y3="2.821373" z3="-0.35075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153249" y3="2.608858" z3="1.411689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560689" y3="-1.57108" z3="-1.401761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.12106" y3="-0.385295" z3="-2.554069">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350812" y3="0.027917" z3="-2.963812">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104745" y3="-1.905372" z3="0.835713">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458302" y3="-2.289626" z3="1.902789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748482" y3="-2.60543" z3="0.98141">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746915" y3="-0.428526" z3="-2.579527">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455893" y3="-1.757942" z3="-0.59104">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583285" y3="-2.285464" z3="-2.790517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430734" y3="-1.89493" z3="-1.501964">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7694;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3757,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7606,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4967,2.1463,-.0636;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7034,-1.5102;5.6685,-1.0423,-1.232;6.0752,-1.7983,-.1121;6.6537,-.5584,-2.1015;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8854;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.8221;-6.3896,-2.485,-.7505;1.8528,-.4285,-.5827;5.7418,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6054,.9814;8.7469,-.4285,-2.5795;9.4559,-1.7579,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.502;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772427 0.0391879 0.0375318</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.29471" y3="1.458153" z3="-1.568732">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827983" y3="0.571869" z3="0.387051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841749" y3="0.076338" z3="2.48851">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302323" y3="2.103682" z3="3.661115">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422252" y3="1.411864" z3="-0.343306">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232783" y3="1.145116" z3="2.967409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322052" y3="-3.735306" z3="-0.769266">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037084" y3="-1.724668" z3="0.008174">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225709" y3="1.731266" z3="1.135257">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391811" y3="0.375796" z3="-0.292095">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753757" y3="-0.383942" z3="-2.028577">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038127" y3="1.760511" z3="-1.816167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866176" y3="-3.854781" z3="0.642137">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371677" y3="0.05704" z3="-3.147601">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518619" y3="1.338763" z3="-3.011151">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496757" y3="2.146288" z3="-0.063671">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746412" y3="1.387702" z3="0.490727">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779796" y3="0.900812" z3="1.604098">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.61694" y3="1.791539" z3="1.335824">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.42115" y3="2.024174" z3="0.271459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154418" z3="-1.165967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903928" y3="2.200062" z3="0.437052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.70834" y3="0.465137" z3="-0.656517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094308" y3="1.66051" z3="2.797519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217427" y3="-0.703303" z3="-1.510222">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668487" y3="-1.042298" z3="-1.231989">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075109" y3="-1.798322" z3="-0.112148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653718" y3="-0.558379" z3="-2.1014">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566357" y3="0.673352" z3="-1.207566">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089637" y3="-2.365815" z3="0.879177">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.43935" y3="-2.04042" z3="0.105724">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007105" y3="-0.814706" z3="-1.885262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405113" y3="-1.559597" z3="-0.775216">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472605" y3="-1.798127" z3="-1.821987">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389584" y3="-2.485037" z3="-0.750384">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852788" y3="-0.428402" z3="-0.582773">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741649" y3="-4.378032" z3="0.7355">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200886" y3="-4.242949" z3="1.317853">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500438" y3="-4.042427" z3="-0.295699">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591741" y3="3.230211" z3="-0.159808">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516523" y3="2.07434" z3="0.846898">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977696" y3="3.20429" z3="-1.481093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.615661" z3="-1.821971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333911" y3="2.821363" z3="-0.35075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153236" y3="2.608863" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560694" y3="-1.571008" z3="-1.401846">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121128" y3="-0.385205" z3="-2.554104">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350906" y3="0.027987" z3="-2.963747">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104658" y3="-1.905388" z3="0.835627">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458167" y3="-2.289685" z3="1.902748">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.74838" y3="-2.60551" z3="0.981445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746986" y3="-0.42851" z3="-2.579384">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455865" y3="-1.758003" z3="-0.590914">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583245" y3="-2.285528" z3="-2.790445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430704" y3="-1.894968" z3="-1.501892">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4582,-1.5687;-4.828,.5719,.3871;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4223,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6421;-6.3717,.057,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4211,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0896,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7416,-4.378,.7355;4.2009,-4.2429,1.3179;4.5004,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9637;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9027;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7904;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772420 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294715" y3="1.45812" z3="-1.568713">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.828004" y3="0.571877" z3="0.387027">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841716" y3="0.076307" z3="2.488539">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.30235" y3="2.103656" z3="3.661129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422232" y3="1.411814" z3="-0.343293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232813" y3="1.145103" z3="2.967413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322094" y3="-3.73527" z3="-0.769366">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037104" y3="-1.724641" z3="0.008121">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225726" y3="1.731236" z3="1.135276">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391792" y3="0.375745" z3="-0.292057">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753787" y3="-0.383886" z3="-2.028618">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.03815" y3="1.760563" z3="-1.816165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866285" y3="-3.854758" z3="0.642248">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.37171" y3="0.057119" z3="-3.14763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518649" y3="1.338839" z3="-3.011154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496749" y3="2.146251" z3="-0.063649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746396" y3="1.387658" z3="0.490756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779773" y3="0.900778" z3="1.604124">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616957" y3="1.791519" z3="1.335836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.42116" y3="2.024162" z3="0.271467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154402" z3="-1.165957">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903936" y3="2.200063" z3="0.437051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708319" y3="0.465083" z3="-0.656488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094334" y3="1.660491" z3="2.797529">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217401" y3="-0.703368" z3="-1.510181">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668479" y3="-1.042325" z3="-1.231994">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.07516" y3="-1.798305" z3="-0.112144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653666" y3="-0.558416" z3="-2.101459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566382" y3="0.673391" z3="-1.207586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089737" y3="-2.365783" z3="0.879238">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439413" y3="-2.040369" z3="0.105683">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007066" y3="-0.814711" z3="-1.885367">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405132" y3="-1.559557" z3="-0.775311">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472641" y3="-1.798076" z3="-1.822055">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389616" y3="-2.485001" z3="-0.750457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852772" y3="-0.428461" z3="-0.582718">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741767" y3="-4.377999" z3="0.735596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.201023" y3="-4.242914" z3="1.317997">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500516" y3="-4.042436" z3="-0.295571">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591741" y3="3.230174" z3="-0.159787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.51651" y3="2.074294" z3="0.846928">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977682" y3="3.204275" z3="-1.481082">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645693" y3="1.615655" z3="-1.821965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333907" y3="2.821373" z3="-0.35075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153248" y3="2.608857" z3="1.411689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.56069" y3="-1.571084" z3="-1.401758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121057" y3="-0.385301" z3="-2.554068">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350809" y3="0.027914" z3="-2.963815">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104749" y3="-1.905371" z3="0.835716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458308" y3="-2.289623" z3="1.902791">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748488" y3="-2.605425" z3="0.981409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746913" y3="-0.428525" z3="-2.579532">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455895" y3="-1.757937" z3="-0.591044">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583291" y3="-2.28546" z3="-2.79052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430738" y3="-1.894929" z3="-1.501969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7694;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3757,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7606,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4967,2.1463,-.0636;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7034,-1.5102;5.6685,-1.0423,-1.232;6.0752,-1.7983,-.1121;6.6537,-.5584,-2.1015;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8854;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.8221;-6.3896,-2.485,-.7505;1.8528,-.4285,-.5827;5.7418,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6054,.9814;8.7469,-.4285,-2.5795;9.4559,-1.7579,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.502;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772428 0.0391878 0.0375318</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.29471" y3="1.458153" z3="-1.568731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827983" y3="0.571869" z3="0.38705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841748" y3="0.076338" z3="2.488511">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302324" y3="2.103683" z3="3.661116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422251" y3="1.411863" z3="-0.343305">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232784" y3="1.145117" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322051" y3="-3.735306" z3="-0.769268">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037085" y3="-1.724667" z3="0.008172">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.22571" y3="1.731266" z3="1.135257">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.39181" y3="0.375796" z3="-0.292094">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753756" y3="-0.383942" z3="-2.028578">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038127" y3="1.760512" z3="-1.816168">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866178" y3="-3.854781" z3="0.642139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371676" y3="0.057041" z3="-3.147602">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518618" y3="1.338763" z3="-3.011152">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496756" y3="2.146288" z3="-0.06367">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746411" y3="1.387701" z3="0.490728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779796" y3="0.900812" z3="1.604099">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616941" y3="1.791539" z3="1.335824">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421151" y3="2.024175" z3="0.271459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154418" z3="-1.165967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903928" y3="2.200063" z3="0.437052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708339" y3="0.465136" z3="-0.656515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094309" y3="1.660511" z3="2.797519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217426" y3="-0.703304" z3="-1.510221">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668486" y3="-1.042298" z3="-1.231989">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.07511" y3="-1.798322" z3="-0.112148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653716" y3="-0.558379" z3="-2.101401">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566357" y3="0.673352" z3="-1.207567">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089639" y3="-2.365815" z3="0.879178">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439351" y3="-2.04042" z3="0.105723">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007104" y3="-0.814706" z3="-1.885264">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405113" y3="-1.559597" z3="-0.775218">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472605" y3="-1.798126" z3="-1.821988">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389584" y3="-2.485037" z3="-0.750385">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852788" y3="-0.428403" z3="-0.582771">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741651" y3="-4.378032" z3="0.735501">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200888" y3="-4.242949" z3="1.317855">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500439" y3="-4.042428" z3="-0.295697">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591741" y3="3.230211" z3="-0.159807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516522" y3="2.07434" z3="0.846899">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977696" y3="3.204289" z3="-1.481093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.615661" z3="-1.821971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333911" y3="2.821363" z3="-0.350751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153237" y3="2.608863" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560693" y3="-1.571009" z3="-1.401844">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121126" y3="-0.385206" z3="-2.554103">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350904" y3="0.027986" z3="-2.963748">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104659" y3="-1.905388" z3="0.835628">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.45817" y3="-2.289685" z3="1.902749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748382" y3="-2.60551" z3="0.981443">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746984" y3="-0.42851" z3="-2.579387">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455865" y3="-1.758003" z3="-0.590918">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583243" y3="-2.285527" z3="-2.790445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430703" y3="-1.894967" z3="-1.501892">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4582,-1.5687;-4.828,.5719,.3871;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4223,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6421;-6.3717,.057,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0896,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5004,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9637;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9027;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7904;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772420 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294716" y3="1.458119" z3="-1.568713">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.828004" y3="0.571877" z3="0.387026">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841716" y3="0.076306" z3="2.488539">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.30235" y3="2.103655" z3="3.661129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422231" y3="1.411813" z3="-0.343294">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232813" y3="1.145102" z3="2.967412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322097" y3="-3.735268" z3="-0.769368">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037104" y3="-1.72464" z3="0.008121">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225726" y3="1.731235" z3="1.135276">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391792" y3="0.375743" z3="-0.292057">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753789" y3="-0.383885" z3="-2.028618">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038151" y3="1.760565" z3="-1.816164">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866288" y3="-3.854758" z3="0.64225">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371712" y3="0.057122" z3="-3.14763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.51865" y3="1.338842" z3="-3.011154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496749" y3="2.14625" z3="-0.063649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746396" y3="1.387656" z3="0.490757">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779773" y3="0.900776" z3="1.604124">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616957" y3="1.791518" z3="1.335836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.42116" y3="2.024161" z3="0.271467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154402" z3="-1.165957">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903936" y3="2.200063" z3="0.437051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708319" y3="0.465081" z3="-0.656488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094334" y3="1.660489" z3="2.797529">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217401" y3="-0.70337" z3="-1.51018">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668479" y3="-1.042325" z3="-1.231994">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075161" y3="-1.798304" z3="-0.112144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653665" y3="-0.558417" z3="-2.101461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566383" y3="0.673392" z3="-1.207586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089739" y3="-2.365782" z3="0.879239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439414" y3="-2.040367" z3="0.105683">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007066" y3="-0.814711" z3="-1.885368">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405133" y3="-1.559555" z3="-0.775312">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472644" y3="-1.798075" z3="-1.822057">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389618" y3="-2.484999" z3="-0.750459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852772" y3="-0.428463" z3="-0.582718">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.74177" y3="-4.377998" z3="0.735598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.201026" y3="-4.242913" z3="1.318001">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500519" y3="-4.042436" z3="-0.295568">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591741" y3="3.230172" z3="-0.159787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.51651" y3="2.074292" z3="0.846928">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977682" y3="3.204274" z3="-1.481082">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645693" y3="1.615654" z3="-1.821965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333907" y3="2.821373" z3="-0.35075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153248" y3="2.608857" z3="1.411689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560691" y3="-1.571086" z3="-1.401756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121056" y3="-0.385303" z3="-2.554068">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350808" y3="0.027912" z3="-2.963816">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104751" y3="-1.905371" z3="0.835717">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458311" y3="-2.289621" z3="1.902792">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.74849" y3="-2.605422" z3="0.98141">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746912" y3="-0.428525" z3="-2.579534">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455896" y3="-1.757934" z3="-0.591045">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583294" y3="-2.285458" z3="-2.790522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.43074" y3="-1.894928" z3="-1.501972">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7694;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3757,-.2921;-5.7538,-.3839,-2.0286;-6.0382,1.7606,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5187,1.3388,-3.0112;.4967,2.1463,-.0636;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7034,-1.5102;5.6685,-1.0423,-1.232;6.0752,-1.7983,-.1121;6.6537,-.5584,-2.1015;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8854;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.8221;-6.3896,-2.485,-.7505;1.8528,-.4285,-.5827;5.7418,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1048,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6054,.9814;8.7469,-.4285,-2.5795;9.4559,-1.7579,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.502;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772429 0.0391878 0.0375318</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294711" y3="1.458152" z3="-1.568731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827984" y3="0.57187" z3="0.38705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841747" y3="0.076338" z3="2.488511">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302324" y3="2.103683" z3="3.661116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422251" y3="1.411862" z3="-0.343304">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232785" y3="1.145118" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322051" y3="-3.735306" z3="-0.769268">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037085" y3="-1.724667" z3="0.008171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.22571" y3="1.731266" z3="1.135257">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.39181" y3="0.375796" z3="-0.292093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753756" y3="-0.383942" z3="-2.028579">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038127" y3="1.760512" z3="-1.816169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866179" y3="-3.854781" z3="0.642139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371675" y3="0.057041" z3="-3.147603">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518618" y3="1.338763" z3="-3.011153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496756" y3="2.146288" z3="-0.06367">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746411" y3="1.387701" z3="0.490728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779795" y3="0.900812" z3="1.604099">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616941" y3="1.791539" z3="1.335824">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421151" y3="2.024175" z3="0.271459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154418" z3="-1.165967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903928" y3="2.200063" z3="0.437052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708339" y3="0.465136" z3="-0.656514">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094309" y3="1.660511" z3="2.79752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217425" y3="-0.703304" z3="-1.51022">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668486" y3="-1.042298" z3="-1.231989">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.07511" y3="-1.798323" z3="-0.112148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653716" y3="-0.558379" z3="-2.101401">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566357" y3="0.673352" z3="-1.207567">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.08964" y3="-2.365815" z3="0.879178">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439351" y3="-2.04042" z3="0.105722">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007103" y3="-0.814706" z3="-1.885265">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405113" y3="-1.559597" z3="-0.775219">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472604" y3="-1.798126" z3="-1.821988">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389584" y3="-2.485037" z3="-0.750386">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852788" y3="-0.428403" z3="-0.582771">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741652" y3="-4.378032" z3="0.735501">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200889" y3="-4.242949" z3="1.317856">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.50044" y3="-4.042428" z3="-0.295696">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.59174" y3="3.230211" z3="-0.159807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516522" y3="2.07434" z3="0.846899">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977696" y3="3.20429" z3="-1.481093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.615661" z3="-1.821971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333911" y3="2.821363" z3="-0.350751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153237" y3="2.608864" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560693" y3="-1.571009" z3="-1.401843">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121126" y3="-0.385207" z3="-2.554102">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350903" y3="0.027986" z3="-2.963748">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.10466" y3="-1.905389" z3="0.835629">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458171" y3="-2.289686" z3="1.902749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748383" y3="-2.60551" z3="0.981442">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746983" y3="-0.42851" z3="-2.579389">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455865" y3="-1.758003" z3="-0.590919">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583242" y3="-2.285527" z3="-2.790446">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430703" y3="-1.894967" z3="-1.501891">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4582,-1.5687;-4.828,.5719,.3871;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4223,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6421;-6.3717,.057,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0896,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5004,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9637;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9027;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7904;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772420 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294715" y3="1.458119" z3="-1.568713">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.828004" y3="0.571877" z3="0.387026">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841717" y3="0.076305" z3="2.488538">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.30235" y3="2.103654" z3="3.661129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422231" y3="1.411813" z3="-0.343295">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232813" y3="1.145101" z3="2.967413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322097" y3="-3.735268" z3="-0.769368">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037104" y3="-1.724639" z3="0.008122">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225725" y3="1.731234" z3="1.135276">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391792" y3="0.375743" z3="-0.292058">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753789" y3="-0.383885" z3="-2.028618">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038151" y3="1.760565" z3="-1.816164">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866288" y3="-3.854757" z3="0.642251">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371713" y3="0.057122" z3="-3.14763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.51865" y3="1.338843" z3="-3.011153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496749" y3="2.14625" z3="-0.063649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746396" y3="1.387656" z3="0.490756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779773" y3="0.900776" z3="1.604124">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616957" y3="1.791517" z3="1.335836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.42116" y3="2.024161" z3="0.271467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154402" z3="-1.165957">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903936" y3="2.200062" z3="0.437052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708319" y3="0.465081" z3="-0.656489">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094334" y3="1.660489" z3="2.797529">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217401" y3="-0.70337" z3="-1.510181">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668479" y3="-1.042325" z3="-1.231994">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075161" y3="-1.798304" z3="-0.112144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653666" y3="-0.558417" z3="-2.101461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566383" y3="0.673392" z3="-1.207586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089739" y3="-2.365782" z3="0.879239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439414" y3="-2.040367" z3="0.105683">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007067" y3="-0.81471" z3="-1.885368">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405133" y3="-1.559555" z3="-0.775311">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472644" y3="-1.798075" z3="-1.822057">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389619" y3="-2.484999" z3="-0.750459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852772" y3="-0.428463" z3="-0.582718">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.74177" y3="-4.377997" z3="0.735599">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.201026" y3="-4.242913" z3="1.318001">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500519" y3="-4.042436" z3="-0.295567">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591741" y3="3.230172" z3="-0.159787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.51651" y3="2.074292" z3="0.846927">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977682" y3="3.204274" z3="-1.481081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645693" y3="1.615655" z3="-1.821965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333907" y3="2.821373" z3="-0.350749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153248" y3="2.608856" z3="1.41169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560691" y3="-1.571086" z3="-1.401757">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121056" y3="-0.385304" z3="-2.554069">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350808" y3="0.027912" z3="-2.963817">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104751" y3="-1.90537" z3="0.835717">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.45831" y3="-2.28962" z3="1.902792">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.74849" y3="-2.605421" z3="0.981411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746912" y3="-0.428525" z3="-2.579533">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455896" y3="-1.757933" z3="-0.591044">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583296" y3="-2.285457" z3="-2.790522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430741" y3="-1.894928" z3="-1.501973">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7694;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3757,-.2921;-5.7538,-.3839,-2.0286;-6.0382,1.7606,-1.8162;4.8663,-3.8548,.6423;-6.3717,.0571,-3.1476;-6.5187,1.3388,-3.0112;.4967,2.1463,-.0636;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7034,-1.5102;5.6685,-1.0423,-1.232;6.0752,-1.7983,-.1121;6.6537,-.5584,-2.1015;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8854;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.8221;-6.3896,-2.485,-.7505;1.8528,-.4285,-.5827;5.7418,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3507;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1048,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6054,.9814;8.7469,-.4285,-2.5795;9.4559,-1.7579,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.502;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772429 0.0391878 0.0375318</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294711" y3="1.458152" z3="-1.568731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827984" y3="0.57187" z3="0.38705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841747" y3="0.076339" z3="2.488512">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302324" y3="2.103683" z3="3.661116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422251" y3="1.411862" z3="-0.343303">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232785" y3="1.145118" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.32205" y3="-3.735306" z3="-0.769269">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037085" y3="-1.724667" z3="0.008171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.22571" y3="1.731266" z3="1.135258">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.39181" y3="0.375796" z3="-0.292093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753756" y3="-0.383941" z3="-2.028579">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038127" y3="1.760512" z3="-1.816169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866179" y3="-3.854781" z3="0.642139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371675" y3="0.057041" z3="-3.147603">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518618" y3="1.338763" z3="-3.011153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496756" y3="2.146288" z3="-0.06367">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746411" y3="1.387701" z3="0.490729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779795" y3="0.900812" z3="1.604099">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616941" y3="1.791539" z3="1.335824">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421151" y3="2.024175" z3="0.271459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154418" z3="-1.165967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903929" y3="2.200063" z3="0.437052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708339" y3="0.465136" z3="-0.656514">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.09431" y3="1.660512" z3="2.79752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217425" y3="-0.703304" z3="-1.510219">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668486" y3="-1.042298" z3="-1.231989">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075111" y3="-1.798323" z3="-0.112148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653715" y3="-0.558379" z3="-2.101401">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566357" y3="0.673352" z3="-1.207567">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.08964" y3="-2.365815" z3="0.879179">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439351" y3="-2.04042" z3="0.105722">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007103" y3="-0.814706" z3="-1.885266">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405113" y3="-1.559597" z3="-0.77522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472604" y3="-1.798126" z3="-1.821989">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389584" y3="-2.485037" z3="-0.750386">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852788" y3="-0.428403" z3="-0.58277">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741653" y3="-4.378033" z3="0.735501">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.20089" y3="-4.242949" z3="1.317856">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.50044" y3="-4.042428" z3="-0.295696">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.59174" y3="3.230211" z3="-0.159807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516522" y3="2.07434" z3="0.8469">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977696" y3="3.204289" z3="-1.481093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.615661" z3="-1.821971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333911" y3="2.821363" z3="-0.350751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153237" y3="2.608864" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560693" y3="-1.571009" z3="-1.401842">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121125" y3="-0.385207" z3="-2.554102">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350902" y3="0.027986" z3="-2.963748">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104661" y3="-1.905389" z3="0.83563">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458172" y3="-2.289686" z3="1.902749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748383" y3="-2.60551" z3="0.981441">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746983" y3="-0.428511" z3="-2.57939">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455865" y3="-1.758003" z3="-0.59092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583241" y3="-2.285527" z3="-2.790446">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430702" y3="-1.894967" z3="-1.501891">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4582,-1.5687;-4.828,.5719,.3871;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4223,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.322,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6421;-6.3717,.057,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0896,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5004,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9637;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9027;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7904;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772420 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294716" y3="1.458119" z3="-1.568713">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.828004" y3="0.571877" z3="0.387027">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841717" y3="0.076305" z3="2.488538">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302349" y3="2.103654" z3="3.661129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422231" y3="1.411814" z3="-0.343295">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232813" y3="1.145101" z3="2.967413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322098" y3="-3.735268" z3="-0.769367">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037105" y3="-1.724639" z3="0.008122">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225725" y3="1.731235" z3="1.135275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391793" y3="0.375744" z3="-0.292058">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753789" y3="-0.383885" z3="-2.028618">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.03815" y3="1.760565" z3="-1.816164">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866287" y3="-3.854758" z3="0.64225">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371712" y3="0.057122" z3="-3.14763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518649" y3="1.338842" z3="-3.011153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496749" y3="2.14625" z3="-0.063649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746396" y3="1.387657" z3="0.490756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779773" y3="0.900776" z3="1.604123">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616957" y3="1.791517" z3="1.335836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.42116" y3="2.024161" z3="0.271467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154402" z3="-1.165957">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903936" y3="2.200062" z3="0.437052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708319" y3="0.465081" z3="-0.656489">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094333" y3="1.660489" z3="2.797528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217402" y3="-0.70337" z3="-1.510181">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668479" y3="-1.042325" z3="-1.231994">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075161" y3="-1.798304" z3="-0.112144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653666" y3="-0.558417" z3="-2.10146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566382" y3="0.673391" z3="-1.207586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089738" y3="-2.365782" z3="0.879238">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439414" y3="-2.040367" z3="0.105684">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007067" y3="-0.81471" z3="-1.885367">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405133" y3="-1.559555" z3="-0.77531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472645" y3="-1.798075" z3="-1.822056">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389619" y3="-2.484999" z3="-0.750458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852772" y3="-0.428462" z3="-0.582719">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741769" y3="-4.377997" z3="0.735598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.201025" y3="-4.242913" z3="1.3180">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500518" y3="-4.042436" z3="-0.295568">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591741" y3="3.230172" z3="-0.159787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.51651" y3="2.074292" z3="0.846927">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977682" y3="3.204275" z3="-1.481081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645693" y3="1.615655" z3="-1.821965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333907" y3="2.821373" z3="-0.350749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153248" y3="2.608856" z3="1.41169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560691" y3="-1.571086" z3="-1.401758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121057" y3="-0.385303" z3="-2.554069">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350809" y3="0.027913" z3="-2.963816">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.10475" y3="-1.905371" z3="0.835716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458309" y3="-2.28962" z3="1.902792">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748489" y3="-2.605422" z3="0.981411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746913" y3="-0.428525" z3="-2.579532">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455896" y3="-1.757934" z3="-0.591043">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583296" y3="-2.285458" z3="-2.790522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430741" y3="-1.894929" z3="-1.501972">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7694;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3757,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7606,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4967,2.1463,-.0636;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7034,-1.5102;5.6685,-1.0423,-1.232;6.0752,-1.7983,-.1121;6.6537,-.5584,-2.1015;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8854;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.8221;-6.3896,-2.485,-.7505;1.8528,-.4285,-.5827;5.7418,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3507;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1048,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6054,.9814;8.7469,-.4285,-2.5795;9.4559,-1.7579,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.502;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772429 0.0391878 0.0375318</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.29471" y3="1.458152" z3="-1.56873">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827983" y3="0.57187" z3="0.38705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841747" y3="0.076339" z3="2.488512">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302325" y3="2.103684" z3="3.661116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422251" y3="1.411863" z3="-0.343304">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232785" y3="1.145118" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322049" y3="-3.735306" z3="-0.769268">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037084" y3="-1.724668" z3="0.008171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.22571" y3="1.731266" z3="1.135258">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.39181" y3="0.375796" z3="-0.292092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753756" y3="-0.383942" z3="-2.028579">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038127" y3="1.760512" z3="-1.816169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866179" y3="-3.854781" z3="0.642139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371675" y3="0.057041" z3="-3.147603">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518618" y3="1.338763" z3="-3.011153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496756" y3="2.146288" z3="-0.063669">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746411" y3="1.387702" z3="0.490729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779795" y3="0.900812" z3="1.6041">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616941" y3="1.791539" z3="1.335825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421151" y3="2.024175" z3="0.271459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154418" z3="-1.165967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903928" y3="2.200063" z3="0.437051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708339" y3="0.465136" z3="-0.656514">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.09431" y3="1.660512" z3="2.79752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217425" y3="-0.703304" z3="-1.510219">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668485" y3="-1.042299" z3="-1.231989">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.07511" y3="-1.798323" z3="-0.112148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653715" y3="-0.558379" z3="-2.101402">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566357" y3="0.673352" z3="-1.207567">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.08964" y3="-2.365816" z3="0.879179">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439351" y3="-2.04042" z3="0.105722">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007102" y3="-0.814706" z3="-1.885266">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405112" y3="-1.559597" z3="-0.77522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472603" y3="-1.798126" z3="-1.821989">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389583" y3="-2.485037" z3="-0.750386">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852788" y3="-0.428403" z3="-0.582769">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741652" y3="-4.378033" z3="0.735501">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.20089" y3="-4.242949" z3="1.317856">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.50044" y3="-4.042428" z3="-0.295696">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.59174" y3="3.230211" z3="-0.159807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516522" y3="2.07434" z3="0.8469">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977696" y3="3.20429" z3="-1.481093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.64569" y3="1.615661" z3="-1.821971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333911" y3="2.821363" z3="-0.350751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153237" y3="2.608864" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560692" y3="-1.571009" z3="-1.401842">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121125" y3="-0.385207" z3="-2.554102">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350901" y3="0.027986" z3="-2.963748">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104661" y3="-1.905389" z3="0.83563">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458172" y3="-2.289686" z3="1.902749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748383" y3="-2.60551" z3="0.981441">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746982" y3="-0.428511" z3="-2.57939">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455865" y3="-1.758003" z3="-0.590921">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583241" y3="-2.285527" z3="-2.790446">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430702" y3="-1.894966" z3="-1.501892">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4582,-1.5687;-4.828,.5719,.3871;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4223,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.322,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6421;-6.3717,.057,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0896,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5004,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9637;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9027;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7904;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772420 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294716" y3="1.458119" z3="-1.568713">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.828004" y3="0.571877" z3="0.387027">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841717" y3="0.076306" z3="2.488538">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302349" y3="2.103654" z3="3.661129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422232" y3="1.411813" z3="-0.343294">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232813" y3="1.145102" z3="2.967412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322099" y3="-3.735268" z3="-0.769367">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037105" y3="-1.724639" z3="0.008122">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225725" y3="1.731235" z3="1.135275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391793" y3="0.375744" z3="-0.292058">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753789" y3="-0.383885" z3="-2.028618">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038149" y3="1.760565" z3="-1.816164">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866287" y3="-3.854758" z3="0.642249">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371712" y3="0.057121" z3="-3.14763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518649" y3="1.338842" z3="-3.011154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496749" y3="2.14625" z3="-0.063649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746396" y3="1.387657" z3="0.490756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779773" y3="0.900776" z3="1.604123">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616957" y3="1.791518" z3="1.335836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.42116" y3="2.024161" z3="0.271467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154402" z3="-1.165957">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903936" y3="2.200062" z3="0.437051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708319" y3="0.465082" z3="-0.656489">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094334" y3="1.660489" z3="2.797528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217402" y3="-0.703369" z3="-1.510181">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668479" y3="-1.042325" z3="-1.231994">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075161" y3="-1.798304" z3="-0.112144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653667" y3="-0.558416" z3="-2.10146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566382" y3="0.673391" z3="-1.207586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089738" y3="-2.365782" z3="0.879238">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439414" y3="-2.040368" z3="0.105684">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007067" y3="-0.81471" z3="-1.885367">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405133" y3="-1.559555" z3="-0.77531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472645" y3="-1.798076" z3="-1.822056">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.38962" y3="-2.484999" z3="-0.750457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852772" y3="-0.428462" z3="-0.582719">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741769" y3="-4.377998" z3="0.735598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.201024" y3="-4.242913" z3="1.317999">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500519" y3="-4.042436" z3="-0.295569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591741" y3="3.230173" z3="-0.159787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.51651" y3="2.074292" z3="0.846927">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977682" y3="3.204275" z3="-1.481081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645693" y3="1.615655" z3="-1.821965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333907" y3="2.821373" z3="-0.350749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153248" y3="2.608856" z3="1.41169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560691" y3="-1.571085" z3="-1.401758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121058" y3="-0.385302" z3="-2.554069">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.35081" y3="0.027913" z3="-2.963815">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.10475" y3="-1.905371" z3="0.835716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458309" y3="-2.289621" z3="1.902792">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748489" y3="-2.605423" z3="0.981411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746913" y3="-0.428524" z3="-2.579531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455896" y3="-1.757934" z3="-0.591043">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583296" y3="-2.285459" z3="-2.790521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430741" y3="-1.89493" z3="-1.501971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7694;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3757,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7606,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4967,2.1463,-.0636;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7034,-1.5102;5.6685,-1.0423,-1.232;6.0752,-1.7983,-.1121;6.6537,-.5584,-2.1015;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8854;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.8221;-6.3896,-2.485,-.7505;1.8528,-.4285,-.5827;5.7418,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3507;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1048,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6054,.9814;8.7469,-.4285,-2.5795;9.4559,-1.7579,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.502;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772429 0.0391878 0.0375318</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.29471" y3="1.458152" z3="-1.568731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827984" y3="0.57187" z3="0.38705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841747" y3="0.076339" z3="2.488512">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302324" y3="2.103683" z3="3.661116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422251" y3="1.411863" z3="-0.343305">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232785" y3="1.145118" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322049" y3="-3.735306" z3="-0.769269">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037084" y3="-1.724668" z3="0.008171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.22571" y3="1.731266" z3="1.135258">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.39181" y3="0.375796" z3="-0.292093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753756" y3="-0.383941" z3="-2.028579">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038127" y3="1.760512" z3="-1.816169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866179" y3="-3.854781" z3="0.64214">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371676" y3="0.057041" z3="-3.147603">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518618" y3="1.338764" z3="-3.011152">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496756" y3="2.146288" z3="-0.063669">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746411" y3="1.387701" z3="0.490729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779795" y3="0.900812" z3="1.604099">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616941" y3="1.791539" z3="1.335825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421151" y3="2.024175" z3="0.271459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154418" z3="-1.165967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903928" y3="2.200063" z3="0.437052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708339" y3="0.465136" z3="-0.656515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.09431" y3="1.660512" z3="2.79752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217425" y3="-0.703305" z3="-1.51022">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668485" y3="-1.042299" z3="-1.231989">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.07511" y3="-1.798322" z3="-0.112148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653715" y3="-0.55838" z3="-2.101402">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566357" y3="0.673352" z3="-1.207567">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.08964" y3="-2.365815" z3="0.879179">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439351" y3="-2.04042" z3="0.105722">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007102" y3="-0.814706" z3="-1.885266">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405113" y3="-1.559597" z3="-0.77522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472603" y3="-1.798125" z3="-1.821989">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389583" y3="-2.485037" z3="-0.750387">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852788" y3="-0.428404" z3="-0.582769">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741653" y3="-4.378032" z3="0.735501">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.20089" y3="-4.242949" z3="1.317857">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.50044" y3="-4.042428" z3="-0.295696">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.59174" y3="3.23021" z3="-0.159807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516522" y3="2.07434" z3="0.8469">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977696" y3="3.204289" z3="-1.481093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.64569" y3="1.615661" z3="-1.82197">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333911" y3="2.821363" z3="-0.350751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153237" y3="2.608864" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560693" y3="-1.571009" z3="-1.401842">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121125" y3="-0.385208" z3="-2.554102">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350901" y3="0.027985" z3="-2.963749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104661" y3="-1.905389" z3="0.83563">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458172" y3="-2.289685" z3="1.902749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748383" y3="-2.60551" z3="0.981442">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746982" y3="-0.428511" z3="-2.57939">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455865" y3="-1.758003" z3="-0.59092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583241" y3="-2.285526" z3="-2.790446">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430702" y3="-1.894966" z3="-1.501892">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4582,-1.5687;-4.828,.5719,.3871;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4223,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.322,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6421;-6.3717,.057,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0896,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5004,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9637;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9027;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7904;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772420 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294716" y3="1.45812" z3="-1.568713">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.828004" y3="0.571877" z3="0.387027">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841716" y3="0.076306" z3="2.488538">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.30235" y3="2.103655" z3="3.661129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422232" y3="1.411813" z3="-0.343293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232813" y3="1.145102" z3="2.967412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322099" y3="-3.735269" z3="-0.769366">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037105" y3="-1.724639" z3="0.008122">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225725" y3="1.731235" z3="1.135275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391793" y3="0.375744" z3="-0.292058">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753789" y3="-0.383886" z3="-2.028618">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038149" y3="1.760564" z3="-1.816165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866287" y3="-3.854758" z3="0.642249">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371711" y3="0.05712" z3="-3.14763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518648" y3="1.338841" z3="-3.011154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496749" y3="2.146251" z3="-0.063649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746396" y3="1.387657" z3="0.490756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779773" y3="0.900777" z3="1.604123">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616957" y3="1.791518" z3="1.335836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.42116" y3="2.024162" z3="0.271467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154402" z3="-1.165957">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903936" y3="2.200063" z3="0.437051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708319" y3="0.465082" z3="-0.656488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094334" y3="1.66049" z3="2.797528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217402" y3="-0.703369" z3="-1.510181">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668479" y3="-1.042325" z3="-1.231994">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075161" y3="-1.798304" z3="-0.112144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653667" y3="-0.558416" z3="-2.10146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566382" y3="0.673391" z3="-1.207586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089738" y3="-2.365783" z3="0.879238">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439414" y3="-2.040368" z3="0.105683">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007067" y3="-0.81471" z3="-1.885367">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405133" y3="-1.559555" z3="-0.775311">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472644" y3="-1.798076" z3="-1.822055">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.38962" y3="-2.4850" z3="-0.750457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852772" y3="-0.428461" z3="-0.582719">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741769" y3="-4.377998" z3="0.735597">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.201024" y3="-4.242913" z3="1.317999">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500518" y3="-4.042436" z3="-0.29557">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591741" y3="3.230173" z3="-0.159787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.51651" y3="2.074293" z3="0.846927">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977682" y3="3.204275" z3="-1.481081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645693" y3="1.615655" z3="-1.821965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333907" y3="2.821373" z3="-0.35075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153248" y3="2.608857" z3="1.411689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560691" y3="-1.571085" z3="-1.401758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121058" y3="-0.385302" z3="-2.554068">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.35081" y3="0.027914" z3="-2.963815">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.10475" y3="-1.905371" z3="0.835716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458309" y3="-2.289622" z3="1.902791">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748489" y3="-2.605424" z3="0.98141">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746913" y3="-0.428524" z3="-2.579531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455896" y3="-1.757935" z3="-0.591043">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583296" y3="-2.285459" z3="-2.79052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430741" y3="-1.89493" z3="-1.50197">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7694;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3757,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7606,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4967,2.1463,-.0636;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7034,-1.5102;5.6685,-1.0423,-1.232;6.0752,-1.7983,-.1121;6.6537,-.5584,-2.1015;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8854;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.8221;-6.3896,-2.485,-.7505;1.8528,-.4285,-.5827;5.7418,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1048,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6054,.9814;8.7469,-.4285,-2.5795;9.4559,-1.7579,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.502;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772429 0.0391878 0.0375318</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.29471" y3="1.458152" z3="-1.568731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827983" y3="0.57187" z3="0.38705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841747" y3="0.076338" z3="2.488512">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302324" y3="2.103683" z3="3.661116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422251" y3="1.411863" z3="-0.343305">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232785" y3="1.145117" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322049" y3="-3.735306" z3="-0.769269">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037084" y3="-1.724668" z3="0.008171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.22571" y3="1.731265" z3="1.135258">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.39181" y3="0.375795" z3="-0.292093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753756" y3="-0.383941" z3="-2.028579">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038128" y3="1.760512" z3="-1.816168">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866179" y3="-3.854781" z3="0.64214">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371676" y3="0.057042" z3="-3.147602">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518619" y3="1.338764" z3="-3.011152">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496756" y3="2.146287" z3="-0.063669">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746411" y3="1.387701" z3="0.490729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779795" y3="0.900811" z3="1.604099">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616941" y3="1.791539" z3="1.335825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421151" y3="2.024175" z3="0.271459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154417" z3="-1.165967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903928" y3="2.200063" z3="0.437052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708339" y3="0.465136" z3="-0.656515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.09431" y3="1.660511" z3="2.79752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217425" y3="-0.703305" z3="-1.51022">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668485" y3="-1.042299" z3="-1.231989">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.07511" y3="-1.798322" z3="-0.112148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653715" y3="-0.55838" z3="-2.101402">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566358" y3="0.673353" z3="-1.207567">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.08964" y3="-2.365815" z3="0.879179">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439351" y3="-2.040419" z3="0.105722">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007103" y3="-0.814706" z3="-1.885266">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405113" y3="-1.559596" z3="-0.77522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472604" y3="-1.798125" z3="-1.821989">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389583" y3="-2.485037" z3="-0.750387">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852788" y3="-0.428404" z3="-0.582769">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741653" y3="-4.378032" z3="0.735502">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.20089" y3="-4.242949" z3="1.317857">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.50044" y3="-4.042427" z3="-0.295695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.59174" y3="3.23021" z3="-0.159807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516522" y3="2.074339" z3="0.8469">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977696" y3="3.204289" z3="-1.481093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.64569" y3="1.615661" z3="-1.82197">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333911" y3="2.821363" z3="-0.350751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153237" y3="2.608864" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560693" y3="-1.57101" z3="-1.401842">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121125" y3="-0.385208" z3="-2.554103">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350902" y3="0.027985" z3="-2.963749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104661" y3="-1.905388" z3="0.83563">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458172" y3="-2.289685" z3="1.902749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748383" y3="-2.605509" z3="0.981442">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746982" y3="-0.428511" z3="-2.57939">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455865" y3="-1.758002" z3="-0.59092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583242" y3="-2.285526" z3="-2.790447">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430702" y3="-1.894966" z3="-1.501893">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4582,-1.5687;-4.828,.5719,.3871;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4223,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.322,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6421;-6.3717,.057,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0896,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5004,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9637;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9027;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7904;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772420 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294715" y3="1.45812" z3="-1.568713">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.828004" y3="0.571877" z3="0.387027">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841716" y3="0.076306" z3="2.488538">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.30235" y3="2.103655" z3="3.661129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422232" y3="1.411813" z3="-0.343292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232813" y3="1.145103" z3="2.967412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322099" y3="-3.735269" z3="-0.769366">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037105" y3="-1.724639" z3="0.008122">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225726" y3="1.731236" z3="1.135275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391792" y3="0.375745" z3="-0.292058">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753788" y3="-0.383886" z3="-2.028618">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038149" y3="1.760564" z3="-1.816165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866287" y3="-3.854759" z3="0.642248">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.37171" y3="0.05712" z3="-3.147631">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518647" y3="1.33884" z3="-3.011155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496749" y3="2.146251" z3="-0.063649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746396" y3="1.387657" z3="0.490756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779773" y3="0.900777" z3="1.604123">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616957" y3="1.791518" z3="1.335836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.42116" y3="2.024162" z3="0.271467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154403" z3="-1.165957">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903936" y3="2.200063" z3="0.437051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708319" y3="0.465082" z3="-0.656487">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094334" y3="1.66049" z3="2.797528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217402" y3="-0.703369" z3="-1.51018">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668479" y3="-1.042325" z3="-1.231994">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.07516" y3="-1.798305" z3="-0.112144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653666" y3="-0.558416" z3="-2.101459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566382" y3="0.673391" z3="-1.207586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089738" y3="-2.365783" z3="0.879238">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439414" y3="-2.040369" z3="0.105683">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007067" y3="-0.81471" z3="-1.885367">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405133" y3="-1.559556" z3="-0.775311">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472644" y3="-1.798077" z3="-1.822055">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.38962" y3="-2.4850" z3="-0.750457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852772" y3="-0.428461" z3="-0.582719">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741769" y3="-4.377999" z3="0.735597">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.201024" y3="-4.242914" z3="1.317998">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500518" y3="-4.042436" z3="-0.29557">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591741" y3="3.230173" z3="-0.159787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.51651" y3="2.074293" z3="0.846928">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977682" y3="3.204275" z3="-1.481081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645693" y3="1.615655" z3="-1.821966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333907" y3="2.821373" z3="-0.35075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153248" y3="2.608857" z3="1.411689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560691" y3="-1.571085" z3="-1.401758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121057" y3="-0.385301" z3="-2.554068">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350809" y3="0.027914" z3="-2.963815">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.10475" y3="-1.905372" z3="0.835716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458309" y3="-2.289622" z3="1.902791">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748489" y3="-2.605425" z3="0.981409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746913" y3="-0.428524" z3="-2.579531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455896" y3="-1.757935" z3="-0.591044">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583295" y3="-2.28546" z3="-2.79052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430741" y3="-1.89493" z3="-1.501969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7694;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3757,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7606,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4967,2.1463,-.0636;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7034,-1.5102;5.6685,-1.0423,-1.232;6.0752,-1.7983,-.1121;6.6537,-.5584,-2.1015;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8854;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.8221;-6.3896,-2.485,-.7505;1.8528,-.4285,-.5827;5.7418,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1048,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6054,.9814;8.7469,-.4285,-2.5795;9.4559,-1.7579,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.502;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772429 0.0391878 0.0375318</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.29471" y3="1.458151" z3="-1.56873">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827984" y3="0.57187" z3="0.38705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841747" y3="0.076337" z3="2.488512">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302325" y3="2.103683" z3="3.661116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.42225" y3="1.411862" z3="-0.343306">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232785" y3="1.145117" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.32205" y3="-3.735305" z3="-0.76927">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037085" y3="-1.724667" z3="0.00817">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.22571" y3="1.731265" z3="1.135258">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.39181" y3="0.375794" z3="-0.292092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753757" y3="-0.38394" z3="-2.02858">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038128" y3="1.760513" z3="-1.816168">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866181" y3="-3.85478" z3="0.642141">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371677" y3="0.057043" z3="-3.147603">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518619" y3="1.338765" z3="-3.011152">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496756" y3="2.146287" z3="-0.063669">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746411" y3="1.3877" z3="0.490729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779795" y3="0.900811" z3="1.6041">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616941" y3="1.791539" z3="1.335825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421151" y3="2.024175" z3="0.271459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154417" z3="-1.165967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903928" y3="2.200063" z3="0.437052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708338" y3="0.465135" z3="-0.656515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.09431" y3="1.660511" z3="2.79752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217425" y3="-0.703306" z3="-1.51022">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668485" y3="-1.042299" z3="-1.231989">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075111" y3="-1.798322" z3="-0.112148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653714" y3="-0.55838" z3="-2.101403">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566358" y3="0.673353" z3="-1.207567">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089641" y3="-2.365814" z3="0.87918">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439352" y3="-2.040418" z3="0.105722">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007102" y3="-0.814706" z3="-1.885267">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405113" y3="-1.559596" z3="-0.775221">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472604" y3="-1.798124" z3="-1.82199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389584" y3="-2.485036" z3="-0.750387">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852788" y3="-0.428405" z3="-0.582768">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741655" y3="-4.378031" z3="0.735503">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200892" y3="-4.242948" z3="1.317859">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500441" y3="-4.042428" z3="-0.295694">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.59174" y3="3.230209" z3="-0.159807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516522" y3="2.074338" z3="0.8469">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977695" y3="3.204289" z3="-1.481093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.615661" z3="-1.82197">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.33391" y3="2.821364" z3="-0.350751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153237" y3="2.608864" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560693" y3="-1.571011" z3="-1.401841">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121124" y3="-0.385209" z3="-2.554102">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.3509" y3="0.027984" z3="-2.96375">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104662" y3="-1.905388" z3="0.835631">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458174" y3="-2.289684" z3="1.90275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748385" y3="-2.605507" z3="0.981442">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746982" y3="-0.428511" z3="-2.579392">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455865" y3="-1.758001" z3="-0.590921">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583242" y3="-2.285525" z3="-2.790447">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430703" y3="-1.894965" z3="-1.501894">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4582,-1.5687;-4.828,.5719,.3871;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4223,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.322,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6421;-6.3717,.057,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0896,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5004,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9638;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9027;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7904;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772420 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294715" y3="1.458121" z3="-1.568714">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.828004" y3="0.571877" z3="0.387027">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841717" y3="0.076307" z3="2.488538">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302349" y3="2.103656" z3="3.661129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422232" y3="1.411815" z3="-0.343293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232812" y3="1.145103" z3="2.967412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322097" y3="-3.73527" z3="-0.769364">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037104" y3="-1.72464" z3="0.008123">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225725" y3="1.731236" z3="1.135275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391793" y3="0.375746" z3="-0.292059">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753788" y3="-0.383888" z3="-2.028617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038149" y3="1.760563" z3="-1.816165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866284" y3="-3.854759" z3="0.642246">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.37171" y3="0.057118" z3="-3.14763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518647" y3="1.338839" z3="-3.011154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496749" y3="2.146252" z3="-0.06365">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746397" y3="1.387659" z3="0.490756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779774" y3="0.900778" z3="1.604123">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616957" y3="1.791518" z3="1.335836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.42116" y3="2.024162" z3="0.271467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154403" z3="-1.165957">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903936" y3="2.200062" z3="0.437051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.70832" y3="0.465083" z3="-0.656488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094333" y3="1.66049" z3="2.797528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217402" y3="-0.703367" z3="-1.510181">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668479" y3="-1.042324" z3="-1.231994">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075159" y3="-1.798305" z3="-0.112144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653668" y3="-0.558415" z3="-2.101458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566381" y3="0.67339" z3="-1.207586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089736" y3="-2.365784" z3="0.879236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439412" y3="-2.04037" z3="0.105684">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007068" y3="-0.81471" z3="-1.885365">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405133" y3="-1.559557" z3="-0.775309">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472643" y3="-1.798078" z3="-1.822054">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389618" y3="-2.485001" z3="-0.750456">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852772" y3="-0.428459" z3="-0.58272">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741766" y3="-4.377999" z3="0.735595">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.201021" y3="-4.242914" z3="1.317995">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500517" y3="-4.042436" z3="-0.295573">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591741" y3="3.230174" z3="-0.159787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.51651" y3="2.074294" z3="0.846927">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977682" y3="3.204276" z3="-1.481081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645693" y3="1.615656" z3="-1.821966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333907" y3="2.821372" z3="-0.35075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153248" y3="2.608857" z3="1.411689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560691" y3="-1.571083" z3="-1.401759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121059" y3="-0.385299" z3="-2.554069">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350812" y3="0.027915" z3="-2.963813">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104748" y3="-1.905372" z3="0.835714">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458306" y3="-2.289623" z3="1.90279">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748486" y3="-2.605427" z3="0.98141">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746915" y3="-0.428524" z3="-2.579529">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455895" y3="-1.757937" z3="-0.591041">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583293" y3="-2.285461" z3="-2.790519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.43074" y3="-1.894931" z3="-1.501968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7694;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3757,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7606,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4967,2.1463,-.0636;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7034,-1.5102;5.6685,-1.0423,-1.232;6.0752,-1.7983,-.1121;6.6537,-.5584,-2.1015;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8854;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.8221;-6.3896,-2.485,-.7505;1.8528,-.4285,-.5827;5.7418,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6054,.9814;8.7469,-.4285,-2.5795;9.4559,-1.7579,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.502;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772428 0.0391878 0.0375318</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294711" y3="1.45815" z3="-1.56873">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827984" y3="0.571871" z3="0.387049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841746" y3="0.076337" z3="2.488512">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302325" y3="2.103682" z3="3.661116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.42225" y3="1.411861" z3="-0.343305">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232786" y3="1.145116" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322051" y3="-3.735304" z3="-0.769271">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037086" y3="-1.724666" z3="0.008169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225711" y3="1.731264" z3="1.135258">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391809" y3="0.375793" z3="-0.292092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753757" y3="-0.383939" z3="-2.02858">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038128" y3="1.760514" z3="-1.816169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866183" y3="-3.85478" z3="0.642143">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371677" y3="0.057044" z3="-3.147604">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518619" y3="1.338767" z3="-3.011153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496756" y3="2.146286" z3="-0.063669">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.74641" y3="1.387699" z3="0.49073">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779794" y3="0.90081" z3="1.6041">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616942" y3="1.791538" z3="1.335825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421151" y3="2.024174" z3="0.27146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154417" z3="-1.165967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903928" y3="2.200063" z3="0.437052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708338" y3="0.465134" z3="-0.656514">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094311" y3="1.66051" z3="2.79752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217424" y3="-0.703307" z3="-1.510219">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668485" y3="-1.0423" z3="-1.23199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075112" y3="-1.798321" z3="-0.112148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653713" y3="-0.558381" z3="-2.101404">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566358" y3="0.673354" z3="-1.207568">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089643" y3="-2.365814" z3="0.879181">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439353" y3="-2.040417" z3="0.105721">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007101" y3="-0.814706" z3="-1.885269">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405113" y3="-1.559595" z3="-0.775222">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472605" y3="-1.798124" z3="-1.821991">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389584" y3="-2.485035" z3="-0.750388">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852787" y3="-0.428407" z3="-0.582768">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741657" y3="-4.378031" z3="0.735504">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200895" y3="-4.242948" z3="1.317861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500442" y3="-4.042428" z3="-0.295692">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591741" y3="3.230208" z3="-0.159806">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516522" y3="2.074337" z3="0.846901">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977695" y3="3.204288" z3="-1.481093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.615661" z3="-1.82197">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.33391" y3="2.821364" z3="-0.350751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153237" y3="2.608864" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560693" y3="-1.571012" z3="-1.40184">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121123" y3="-0.385211" z3="-2.554102">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350899" y3="0.027983" z3="-2.963751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104663" y3="-1.905388" z3="0.835633">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458176" y3="-2.289683" z3="1.90275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748386" y3="-2.605505" z3="0.981442">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.74698" y3="-0.428511" z3="-2.579394">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455866" y3="-1.757999" z3="-0.590923">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583243" y3="-2.285524" z3="-2.790448">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430703" y3="-1.894965" z3="-1.501894">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4582,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4223,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6421;-6.3717,.057,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0896,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5004,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9638;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9027;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7904;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772421 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294715" y3="1.458122" z3="-1.568714">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.828003" y3="0.571876" z3="0.387028">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841718" y3="0.076308" z3="2.488537">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302349" y3="2.103656" z3="3.661128">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422233" y3="1.411816" z3="-0.343293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232812" y3="1.145103" z3="2.967412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322096" y3="-3.735271" z3="-0.769362">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037104" y3="-1.724641" z3="0.008125">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225725" y3="1.731237" z3="1.135275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391794" y3="0.375748" z3="-0.29206">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753787" y3="-0.383889" z3="-2.028616">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038148" y3="1.760561" z3="-1.816165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866281" y3="-3.854759" z3="0.642243">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371709" y3="0.057116" z3="-3.147629">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518647" y3="1.338836" z3="-3.011154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496749" y3="2.146254" z3="-0.06365">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746397" y3="1.38766" z3="0.490755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779774" y3="0.900779" z3="1.604122">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616956" y3="1.791519" z3="1.335835">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421159" y3="2.024162" z3="0.271466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154404" z3="-1.165957">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903936" y3="2.200062" z3="0.437051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.70832" y3="0.465085" z3="-0.656489">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094333" y3="1.660491" z3="2.797528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217403" y3="-0.703365" z3="-1.510182">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668479" y3="-1.042323" z3="-1.231993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075158" y3="-1.798306" z3="-0.112144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653669" y3="-0.558414" z3="-2.101457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566381" y3="0.673389" z3="-1.207585">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089733" y3="-2.365785" z3="0.879235">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439411" y3="-2.040372" z3="0.105685">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007069" y3="-0.814711" z3="-1.885362">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405132" y3="-1.559559" z3="-0.775307">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472642" y3="-1.798079" z3="-1.822052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389617" y3="-2.485002" z3="-0.750454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852773" y3="-0.428457" z3="-0.582722">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741762" y3="-4.3780" z3="0.735593">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.201017" y3="-4.242915" z3="1.317991">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500514" y3="-4.042436" z3="-0.295576">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591741" y3="3.230176" z3="-0.159788">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516511" y3="2.074296" z3="0.846926">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977683" y3="3.204276" z3="-1.481082">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645692" y3="1.615656" z3="-1.821966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333907" y3="2.821372" z3="-0.35075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153248" y3="2.608857" z3="1.411689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560691" y3="-1.57108" z3="-1.401762">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121061" y3="-0.385296" z3="-2.55407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350814" y3="0.027917" z3="-2.963812">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104745" y3="-1.905372" z3="0.835711">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458302" y3="-2.289625" z3="1.902789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748483" y3="-2.605429" z3="0.981411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746917" y3="-0.428524" z3="-2.579525">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455894" y3="-1.75794" z3="-0.591038">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583292" y3="-2.285463" z3="-2.790517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430739" y3="-1.894932" z3="-1.501966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7694;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3757,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7606,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4967,2.1463,-.0636;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7034,-1.5102;5.6685,-1.0423,-1.232;6.0752,-1.7983,-.1121;6.6537,-.5584,-2.1015;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8854;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.8221;-6.3896,-2.485,-.7505;1.8528,-.4285,-.5827;5.7418,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6054,.9814;8.7469,-.4285,-2.5795;9.4559,-1.7579,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.502;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772428 0.0391878 0.0375318</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294711" y3="1.45815" z3="-1.56873">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827985" y3="0.571871" z3="0.387049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841745" y3="0.076336" z3="2.488513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302326" y3="2.103681" z3="3.661117">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422249" y3="1.41186" z3="-0.343305">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232787" y3="1.145117" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322052" y3="-3.735303" z3="-0.769273">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037086" y3="-1.724665" z3="0.008168">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225711" y3="1.731264" z3="1.135259">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391809" y3="0.375792" z3="-0.292091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753757" y3="-0.383938" z3="-2.028581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038128" y3="1.760515" z3="-1.816169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866185" y3="-3.85478" z3="0.642145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371677" y3="0.057045" z3="-3.147604">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518619" y3="1.338768" z3="-3.011153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496755" y3="2.146285" z3="-0.063668">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.74641" y3="1.387698" z3="0.49073">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779793" y3="0.900809" z3="1.604101">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616942" y3="1.791538" z3="1.335825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421151" y3="2.024174" z3="0.27146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154416" z3="-1.165966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903929" y3="2.200064" z3="0.437051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708337" y3="0.465132" z3="-0.656514">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094311" y3="1.66051" z3="2.79752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217424" y3="-0.703308" z3="-1.510218">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668485" y3="-1.0423" z3="-1.23199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075113" y3="-1.798321" z3="-0.112148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653712" y3="-0.558381" z3="-2.101405">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566358" y3="0.673355" z3="-1.207568">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089645" y3="-2.365813" z3="0.879182">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439354" y3="-2.040416" z3="0.10572">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007101" y3="-0.814706" z3="-1.885272">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405114" y3="-1.559594" z3="-0.775224">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472605" y3="-1.798122" z3="-1.821992">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389585" y3="-2.485034" z3="-0.75039">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852787" y3="-0.428408" z3="-0.582766">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.74166" y3="-4.37803" z3="0.735506">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200898" y3="-4.242947" z3="1.317864">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500444" y3="-4.042428" z3="-0.29569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.59174" y3="3.230208" z3="-0.159806">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516521" y3="2.074336" z3="0.846901">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977695" y3="3.204288" z3="-1.481093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.61566" z3="-1.82197">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.33391" y3="2.821364" z3="-0.350751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153237" y3="2.608864" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560692" y3="-1.571014" z3="-1.401838">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121121" y3="-0.385213" z3="-2.554101">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350897" y3="0.027981" z3="-2.963752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104665" y3="-1.905388" z3="0.835635">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458179" y3="-2.289682" z3="1.902751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748389" y3="-2.605503" z3="0.981441">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746979" y3="-0.428511" z3="-2.579397">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455866" y3="-1.757998" z3="-0.590926">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583243" y3="-2.285523" z3="-2.79045">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430704" y3="-1.894964" z3="-1.501895">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4582,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6421;-6.3717,.057,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0896,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5004,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9638;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9028;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7904;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772421 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294715" y3="1.458123" z3="-1.568714">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.828002" y3="0.571876" z3="0.387028">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841719" y3="0.076309" z3="2.488536">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302348" y3="2.103657" z3="3.661128">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422234" y3="1.411818" z3="-0.343293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232811" y3="1.145103" z3="2.967412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322094" y3="-3.735272" z3="-0.769359">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037103" y3="-1.724642" z3="0.008126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225724" y3="1.731238" z3="1.135274">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391794" y3="0.375749" z3="-0.29206">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753786" y3="-0.383891" z3="-2.028615">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038148" y3="1.76056" z3="-1.816165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866278" y3="-3.85476" z3="0.64224">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371709" y3="0.057114" z3="-3.147628">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518646" y3="1.338834" z3="-3.011154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.49675" y3="2.146255" z3="-0.063651">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746398" y3="1.387662" z3="0.490754">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779775" y3="0.90078" z3="1.604122">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616956" y3="1.79152" z3="1.335835">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421159" y3="2.024163" z3="0.271466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154404" z3="-1.165958">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903935" y3="2.200062" z3="0.437051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708321" y3="0.465087" z3="-0.656489">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094332" y3="1.660491" z3="2.797528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217404" y3="-0.703363" z3="-1.510183">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.66848" y3="-1.042323" z3="-1.231993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075156" y3="-1.798306" z3="-0.112144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.65367" y3="-0.558414" z3="-2.101455">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.56638" y3="0.673387" z3="-1.207585">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.08973" y3="-2.365785" z3="0.879233">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439409" y3="-2.040373" z3="0.105686">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.00707" y3="-0.814711" z3="-1.885359">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405132" y3="-1.55956" z3="-0.775304">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472641" y3="-1.798081" z3="-1.822051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389616" y3="-2.485003" z3="-0.750452">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852773" y3="-0.428456" z3="-0.582723">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741759" y3="-4.378001" z3="0.735591">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.201013" y3="-4.242916" z3="1.317988">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500512" y3="-4.042436" z3="-0.295579">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591741" y3="3.230177" z3="-0.159788">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516511" y3="2.074297" z3="0.846926">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977683" y3="3.204277" z3="-1.481082">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645692" y3="1.615656" z3="-1.821966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333908" y3="2.821372" z3="-0.35075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153247" y3="2.608857" z3="1.411689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560691" y3="-1.571078" z3="-1.401764">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121063" y3="-0.385293" z3="-2.554071">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350817" y3="0.027919" z3="-2.96381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104743" y3="-1.905372" z3="0.835709">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458298" y3="-2.289626" z3="1.902788">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.74848" y3="-2.605432" z3="0.981412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746919" y3="-0.428524" z3="-2.579521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455893" y3="-1.757942" z3="-0.591034">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583291" y3="-2.285465" z3="-2.790515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430737" y3="-1.894933" z3="-1.501964">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7694;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3757,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7606,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7034,-1.5102;5.6685,-1.0423,-1.232;6.0752,-1.7983,-.1121;6.6537,-.5584,-2.1015;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8854;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.8221;-6.3896,-2.485,-.7505;1.8528,-.4285,-.5827;5.7418,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6054,.9814;8.7469,-.4285,-2.5795;9.4559,-1.7579,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.502;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772428 0.0391878 0.0375318</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294711" y3="1.458149" z3="-1.568729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827986" y3="0.571872" z3="0.387048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841744" y3="0.076335" z3="2.488514">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302327" y3="2.103681" z3="3.661117">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422249" y3="1.411859" z3="-0.343304">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232788" y3="1.145117" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322053" y3="-3.735302" z3="-0.769274">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037087" y3="-1.724664" z3="0.008166">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225712" y3="1.731263" z3="1.135259">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391808" y3="0.375791" z3="-0.29209">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753758" y3="-0.383937" z3="-2.028582">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038128" y3="1.760516" z3="-1.816169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866188" y3="-3.854779" z3="0.642147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371677" y3="0.057047" z3="-3.147605">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518619" y3="1.338769" z3="-3.011154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496755" y3="2.146284" z3="-0.063668">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746409" y3="1.387697" z3="0.490731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779793" y3="0.900808" z3="1.604101">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616943" y3="1.791538" z3="1.335825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421152" y3="2.024174" z3="0.27146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154416" z3="-1.165966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903929" y3="2.200064" z3="0.437051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708337" y3="0.465131" z3="-0.656513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094312" y3="1.66051" z3="2.79752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217423" y3="-0.70331" z3="-1.510217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668485" y3="-1.042301" z3="-1.23199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075114" y3="-1.798321" z3="-0.112148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653711" y3="-0.558382" z3="-2.101406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566359" y3="0.673356" z3="-1.207569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089647" y3="-2.365813" z3="0.879183">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439356" y3="-2.040415" z3="0.105719">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.0071" y3="-0.814706" z3="-1.885274">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405114" y3="-1.559593" z3="-0.775226">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472606" y3="-1.798121" z3="-1.821993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389586" y3="-2.485033" z3="-0.750391">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852786" y3="-0.428409" z3="-0.582765">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741663" y3="-4.378029" z3="0.735507">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200901" y3="-4.242947" z3="1.317866">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500446" y3="-4.042428" z3="-0.295687">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.59174" y3="3.230207" z3="-0.159805">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516521" y3="2.074335" z3="0.846902">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977695" y3="3.204288" z3="-1.481093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.61566" z3="-1.82197">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.33391" y3="2.821365" z3="-0.350751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153238" y3="2.608864" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560692" y3="-1.571015" z3="-1.401836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121119" y3="-0.385215" z3="-2.5541">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350894" y3="0.02798" z3="-2.963754">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104667" y3="-1.905388" z3="0.835637">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458182" y3="-2.289681" z3="1.902752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748391" y3="-2.605502" z3="0.98144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746977" y3="-0.428512" z3="-2.5794">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455867" y3="-1.757996" z3="-0.590929">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583244" y3="-2.285522" z3="-2.790451">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430705" y3="-1.894963" z3="-1.501896">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6421;-6.3717,.057,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0896,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5004,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9638;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9028;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7905;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772421 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294714" y3="1.458124" z3="-1.568715">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.828001" y3="0.571875" z3="0.387029">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.84172" y3="0.07631" z3="2.488536">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302347" y3="2.103658" z3="3.661128">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422235" y3="1.411819" z3="-0.343293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.23281" y3="1.145104" z3="2.967412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322093" y3="-3.735273" z3="-0.769356">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037102" y3="-1.724643" z3="0.008127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225724" y3="1.731239" z3="1.135274">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391795" y3="0.375751" z3="-0.292061">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753785" y3="-0.383892" z3="-2.028614">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038148" y3="1.760558" z3="-1.816164">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866275" y3="-3.85476" z3="0.642238">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371708" y3="0.057112" z3="-3.147627">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518646" y3="1.338832" z3="-3.011153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.49675" y3="2.146256" z3="-0.063651">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746398" y3="1.387663" z3="0.490753">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779776" y3="0.900781" z3="1.604121">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616955" y3="1.79152" z3="1.335835">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421159" y3="2.024163" z3="0.271466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154405" z3="-1.165958">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903935" y3="2.200062" z3="0.437051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708322" y3="0.465088" z3="-0.65649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094331" y3="1.660492" z3="2.797527">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217404" y3="-0.703361" z3="-1.510185">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.66848" y3="-1.042322" z3="-1.231993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075155" y3="-1.798307" z3="-0.112145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653672" y3="-0.558413" z3="-2.101454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566379" y3="0.673386" z3="-1.207584">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089727" y3="-2.365786" z3="0.879232">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439407" y3="-2.040375" z3="0.105687">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007071" y3="-0.814711" z3="-1.885357">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405131" y3="-1.559561" z3="-0.775302">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.47264" y3="-1.798082" z3="-1.822049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389615" y3="-2.485005" z3="-0.75045">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852774" y3="-0.428454" z3="-0.582725">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741756" y3="-4.378001" z3="0.735588">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.201009" y3="-4.242917" z3="1.317984">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.50051" y3="-4.042435" z3="-0.295583">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591741" y3="3.230178" z3="-0.159789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516512" y3="2.074298" z3="0.846925">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977683" y3="3.204277" z3="-1.481082">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645692" y3="1.615657" z3="-1.821966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333908" y3="2.821371" z3="-0.35075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153247" y3="2.608857" z3="1.411689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560691" y3="-1.571076" z3="-1.401767">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121065" y3="-0.385291" z3="-2.554072">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.35082" y3="0.027921" z3="-2.963808">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.10474" y3="-1.905373" z3="0.835706">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458294" y3="-2.289627" z3="1.902787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748477" y3="-2.605434" z3="0.981413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746921" y3="-0.428524" z3="-2.579517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455892" y3="-1.757944" z3="-0.591031">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.58329" y3="-2.285467" z3="-2.790513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430737" y3="-1.894934" z3="-1.501962">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7694;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7606,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7034,-1.5102;5.6685,-1.0423,-1.232;6.0752,-1.7983,-.1121;6.6537,-.5584,-2.1015;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8854;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4285,-.5827;5.7418,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6054,.9814;8.7469,-.4285,-2.5795;9.4559,-1.7579,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.502;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772427 0.0391879 0.0375318</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294711" y3="1.458148" z3="-1.568729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827986" y3="0.571872" z3="0.387048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841743" y3="0.076334" z3="2.488514">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302328" y3="2.10368" z3="3.661117">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422248" y3="1.411858" z3="-0.343303">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232789" y3="1.145117" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322054" y3="-3.735301" z3="-0.769276">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037088" y3="-1.724663" z3="0.008165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225712" y3="1.731262" z3="1.13526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391808" y3="0.37579" z3="-0.292089">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753758" y3="-0.383936" z3="-2.028583">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038128" y3="1.760517" z3="-1.81617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.86619" y3="-3.854779" z3="0.642149">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371677" y3="0.057048" z3="-3.147606">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518619" y3="1.33877" z3="-3.011154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496755" y3="2.146284" z3="-0.063667">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746409" y3="1.387696" z3="0.490732">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779792" y3="0.900807" z3="1.604102">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616943" y3="1.791537" z3="1.335826">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421152" y3="2.024174" z3="0.27146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154416" z3="-1.165966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903929" y3="2.200064" z3="0.437051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708336" y3="0.46513" z3="-0.656512">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094313" y3="1.660509" z3="2.79752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217422" y3="-0.703311" z3="-1.510216">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668485" y3="-1.042301" z3="-1.23199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075115" y3="-1.79832" z3="-0.112148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.65371" y3="-0.558383" z3="-2.101407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566359" y3="0.673357" z3="-1.207569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089649" y3="-2.365813" z3="0.879184">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439357" y3="-2.040414" z3="0.105718">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007099" y3="-0.814706" z3="-1.885276">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405114" y3="-1.559592" z3="-0.775229">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472606" y3="-1.798121" z3="-1.821994">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389587" y3="-2.485032" z3="-0.750392">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852786" y3="-0.42841" z3="-0.582764">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741665" y3="-4.378029" z3="0.735509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200904" y3="-4.242947" z3="1.317869">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500448" y3="-4.042428" z3="-0.295685">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.59174" y3="3.230206" z3="-0.159805">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.51652" y3="2.074334" z3="0.846903">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977694" y3="3.204287" z3="-1.481093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.61566" z3="-1.82197">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.33391" y3="2.821365" z3="-0.350752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153238" y3="2.608865" z3="1.411687">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560692" y3="-1.571017" z3="-1.401834">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121118" y3="-0.385217" z3="-2.554099">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350892" y3="0.027979" z3="-2.963755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104669" y3="-1.905388" z3="0.835639">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458185" y3="-2.28968" z3="1.902753">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748393" y3="-2.6055" z3="0.981439">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746975" y3="-0.428512" z3="-2.579404">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455868" y3="-1.757995" z3="-0.590932">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583244" y3="-2.285521" z3="-2.790452">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430705" y3="-1.894962" z3="-1.501897">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6421;-6.3717,.057,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0896,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5004,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9638;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9028;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7905;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772421 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294714" y3="1.458125" z3="-1.568715">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.828001" y3="0.571875" z3="0.38703">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841721" y3="0.076311" z3="2.488535">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302347" y3="2.103658" z3="3.661127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422235" y3="1.41182" z3="-0.343294">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232809" y3="1.145104" z3="2.967412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322092" y3="-3.735274" z3="-0.769354">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037102" y3="-1.724644" z3="0.008128">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225723" y3="1.73124" z3="1.135273">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391795" y3="0.375752" z3="-0.292063">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753784" y3="-0.383894" z3="-2.028613">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038147" y3="1.760557" z3="-1.816164">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866272" y3="-3.854761" z3="0.642235">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371708" y3="0.05711" z3="-3.147626">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518646" y3="1.33883" z3="-3.011153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.49675" y3="2.146257" z3="-0.063652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746399" y3="1.387664" z3="0.490753">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779776" y3="0.900782" z3="1.60412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616955" y3="1.79152" z3="1.335834">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421158" y3="2.024163" z3="0.271466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154405" z3="-1.165958">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903935" y3="2.200062" z3="0.437051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708322" y3="0.46509" z3="-0.656491">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094331" y3="1.660492" z3="2.797527">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217405" y3="-0.70336" z3="-1.510186">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.66848" y3="-1.042321" z3="-1.231993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075154" y3="-1.798307" z3="-0.112145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653673" y3="-0.558412" z3="-2.101452">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566379" y3="0.673385" z3="-1.207583">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089724" y3="-2.365787" z3="0.87923">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439405" y3="-2.040376" z3="0.105688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007072" y3="-0.814711" z3="-1.885354">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.40513" y3="-1.559562" z3="-0.775299">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472639" y3="-1.798083" z3="-1.822047">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389614" y3="-2.485006" z3="-0.750448">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852774" y3="-0.428452" z3="-0.582726">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741753" y3="-4.378002" z3="0.735586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.201005" y3="-4.242917" z3="1.31798">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500508" y3="-4.042435" z3="-0.295586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591741" y3="3.230179" z3="-0.159789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516512" y3="2.0743" z3="0.846924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977684" y3="3.204278" z3="-1.481082">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645692" y3="1.615657" z3="-1.821966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333908" y3="2.821371" z3="-0.35075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153246" y3="2.608857" z3="1.411689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560691" y3="-1.571074" z3="-1.401769">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121067" y3="-0.385288" z3="-2.554073">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350822" y3="0.027923" z3="-2.963807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104738" y3="-1.905373" z3="0.835704">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.45829" y3="-2.289629" z3="1.902786">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748474" y3="-2.605436" z3="0.981414">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746923" y3="-0.428524" z3="-2.579513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455892" y3="-1.757946" z3="-0.591027">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583288" y3="-2.285468" z3="-2.790511">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430736" y3="-1.894935" z3="-1.501961">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7694;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7606,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7034,-1.5102;5.6685,-1.0423,-1.232;6.0752,-1.7983,-.1121;6.6537,-.5584,-2.1015;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8854;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4285,-.5827;5.7418,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6054,.9814;8.7469,-.4285,-2.5795;9.4559,-1.7579,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.502;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772427 0.0391879 0.0375318</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294711" y3="1.458148" z3="-1.568728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827987" y3="0.571872" z3="0.387048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841742" y3="0.076334" z3="2.488515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302328" y3="2.10368" z3="3.661118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422248" y3="1.411857" z3="-0.343303">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232789" y3="1.145117" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322053" y3="-3.735301" z3="-0.769277">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037088" y3="-1.724663" z3="0.008164">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225712" y3="1.731262" z3="1.13526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391808" y3="0.375789" z3="-0.292088">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753758" y3="-0.383935" z3="-2.028583">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038129" y3="1.760518" z3="-1.816169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866191" y3="-3.854779" z3="0.642151">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371677" y3="0.057049" z3="-3.147606">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.51862" y3="1.338771" z3="-3.011154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496755" y3="2.146283" z3="-0.063667">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746409" y3="1.387696" z3="0.490732">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779792" y3="0.900807" z3="1.604102">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616943" y3="1.791537" z3="1.335826">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421152" y3="2.024174" z3="0.27146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154416" z3="-1.165966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903929" y3="2.200064" z3="0.437051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708336" y3="0.46513" z3="-0.656511">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094313" y3="1.660509" z3="2.797521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217422" y3="-0.703312" z3="-1.510216">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668484" y3="-1.042301" z3="-1.23199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075115" y3="-1.79832" z3="-0.112148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653709" y3="-0.558384" z3="-2.101408">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.56636" y3="0.673357" z3="-1.207569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089651" y3="-2.365812" z3="0.879185">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439358" y3="-2.040413" z3="0.105718">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007098" y3="-0.814707" z3="-1.885278">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405114" y3="-1.559592" z3="-0.77523">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472606" y3="-1.79812" z3="-1.821995">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389586" y3="-2.485032" z3="-0.750393">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852786" y3="-0.428411" z3="-0.582763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741666" y3="-4.378028" z3="0.73551">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200906" y3="-4.242946" z3="1.317871">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500448" y3="-4.042428" z3="-0.295683">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.59174" y3="3.230206" z3="-0.159804">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.51652" y3="2.074333" z3="0.846904">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977694" y3="3.204288" z3="-1.481093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.61566" z3="-1.82197">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.33391" y3="2.821365" z3="-0.350752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153238" y3="2.608864" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560692" y3="-1.571018" z3="-1.401833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121117" y3="-0.385218" z3="-2.554098">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350891" y3="0.027977" z3="-2.963756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.10467" y3="-1.905387" z3="0.83564">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458187" y3="-2.289679" z3="1.902753">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748394" y3="-2.605499" z3="0.981439">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746974" y3="-0.428513" z3="-2.579406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455868" y3="-1.757995" z3="-0.590934">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583244" y3="-2.28552" z3="-2.790453">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430705" y3="-1.894962" z3="-1.501898">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6422;-6.3717,.057,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5004,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9638;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9028;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7905;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772421 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294714" y3="1.458126" z3="-1.568716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.8280" y3="0.571875" z3="0.38703">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841721" y3="0.076311" z3="2.488534">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302347" y3="2.103659" z3="3.661127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422235" y3="1.411821" z3="-0.343293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232809" y3="1.145104" z3="2.967411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322092" y3="-3.735275" z3="-0.769351">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037103" y3="-1.724643" z3="0.008129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225723" y3="1.73124" z3="1.135273">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391795" y3="0.375753" z3="-0.292063">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753784" y3="-0.383895" z3="-2.028612">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038146" y3="1.760556" z3="-1.816165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.86627" y3="-3.854761" z3="0.642233">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371707" y3="0.057108" z3="-3.147626">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518644" y3="1.338829" z3="-3.011154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.49675" y3="2.146257" z3="-0.063652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746399" y3="1.387664" z3="0.490753">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779776" y3="0.900782" z3="1.60412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616955" y3="1.791521" z3="1.335834">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421158" y3="2.024164" z3="0.271465">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954217" y3="2.154405" z3="-1.165959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903935" y3="2.200062" z3="0.437051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708323" y3="0.465091" z3="-0.656491">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094331" y3="1.660493" z3="2.797527">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217405" y3="-0.703358" z3="-1.510186">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.66848" y3="-1.042321" z3="-1.231993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075153" y3="-1.798307" z3="-0.112145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653674" y3="-0.558411" z3="-2.101451">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566378" y3="0.673385" z3="-1.207584">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089723" y3="-2.365787" z3="0.879229">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439404" y3="-2.040377" z3="0.105688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007073" y3="-0.81471" z3="-1.885352">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.40513" y3="-1.559563" z3="-0.775298">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472639" y3="-1.798084" z3="-1.822046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389615" y3="-2.485006" z3="-0.750447">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852774" y3="-0.428452" z3="-0.582727">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741751" y3="-4.378003" z3="0.735584">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.201004" y3="-4.242918" z3="1.317978">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500507" y3="-4.042435" z3="-0.295588">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591741" y3="3.230179" z3="-0.159789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516512" y3="2.0743" z3="0.846924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977684" y3="3.204278" z3="-1.481083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645692" y3="1.615657" z3="-1.821967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333908" y3="2.821371" z3="-0.35075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153246" y3="2.608857" z3="1.411689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560691" y3="-1.571072" z3="-1.401771">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121068" y3="-0.385286" z3="-2.554073">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350824" y3="0.027925" z3="-2.963805">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104736" y3="-1.905374" z3="0.835702">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458288" y3="-2.28963" z3="1.902785">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748473" y3="-2.605438" z3="0.981414">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746924" y3="-0.428523" z3="-2.579511">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455891" y3="-1.757947" z3="-0.591026">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583288" y3="-2.28547" z3="-2.790509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430736" y3="-1.894936" z3="-1.501958">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7694;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7606,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7034,-1.5102;5.6685,-1.0423,-1.232;6.0752,-1.7983,-.1121;6.6537,-.5584,-2.1015;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8854;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4285,-.5827;5.7418,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6054,.9814;8.7469,-.4285,-2.5795;9.4559,-1.7579,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.502;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772427 0.0391879 0.0375318</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294711" y3="1.458148" z3="-1.568728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827987" y3="0.571872" z3="0.387047">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841742" y3="0.076333" z3="2.488515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302328" y3="2.103679" z3="3.661118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422248" y3="1.411856" z3="-0.343303">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.23279" y3="1.145116" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322054" y3="-3.735301" z3="-0.769279">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037088" y3="-1.724663" z3="0.008163">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225712" y3="1.731262" z3="1.13526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391807" y3="0.375788" z3="-0.292088">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753758" y3="-0.383934" z3="-2.028584">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038129" y3="1.760519" z3="-1.816169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866193" y3="-3.854778" z3="0.642153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371678" y3="0.05705" z3="-3.147607">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.51862" y3="1.338773" z3="-3.011154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496755" y3="2.146283" z3="-0.063666">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746408" y3="1.387695" z3="0.490733">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779791" y3="0.900807" z3="1.604103">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616944" y3="1.791537" z3="1.335826">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421152" y3="2.024174" z3="0.27146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154416" z3="-1.165966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.90393" y3="2.200064" z3="0.437051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708336" y3="0.465129" z3="-0.656511">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094314" y3="1.660509" z3="2.797521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217421" y3="-0.703313" z3="-1.510215">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668484" y3="-1.042302" z3="-1.23199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075116" y3="-1.79832" z3="-0.112147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653708" y3="-0.558384" z3="-2.101409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.56636" y3="0.673358" z3="-1.20757">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089652" y3="-2.365811" z3="0.879186">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439359" y3="-2.040412" z3="0.105717">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007097" y3="-0.814707" z3="-1.885279">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405115" y3="-1.559591" z3="-0.775232">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472607" y3="-1.798119" z3="-1.821996">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389587" y3="-2.485032" z3="-0.750395">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852785" y3="-0.428412" z3="-0.582763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741668" y3="-4.378028" z3="0.735511">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200908" y3="-4.242945" z3="1.317873">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.50045" y3="-4.042428" z3="-0.295681">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.59174" y3="3.230205" z3="-0.159804">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.51652" y3="2.074333" z3="0.846904">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977694" y3="3.204287" z3="-1.481092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.61566" z3="-1.82197">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.33391" y3="2.821365" z3="-0.350751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153239" y3="2.608864" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560692" y3="-1.571019" z3="-1.401831">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121116" y3="-0.385219" z3="-2.554098">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350889" y3="0.027976" z3="-2.963758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104672" y3="-1.905387" z3="0.835642">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458189" y3="-2.289678" z3="1.902754">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748396" y3="-2.605498" z3="0.981438">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746973" y3="-0.428513" z3="-2.579409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455868" y3="-1.757993" z3="-0.590936">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583245" y3="-2.285519" z3="-2.790454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430705" y3="-1.894961" z3="-1.5019">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6422;-6.3717,.057,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5004,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9638;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9028;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7905;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772421 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294714" y3="1.458126" z3="-1.568716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.8280" y3="0.571875" z3="0.38703">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841721" y3="0.076311" z3="2.488534">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302346" y3="2.103659" z3="3.661127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422236" y3="1.411822" z3="-0.343293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232809" y3="1.145104" z3="2.967411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322092" y3="-3.735275" z3="-0.769349">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037103" y3="-1.724643" z3="0.00813">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225723" y3="1.731241" z3="1.135273">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391796" y3="0.375753" z3="-0.292063">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753783" y3="-0.383896" z3="-2.028612">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038146" y3="1.760555" z3="-1.816166">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866269" y3="-3.854762" z3="0.642231">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371706" y3="0.057107" z3="-3.147626">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518643" y3="1.338827" z3="-3.011154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496751" y3="2.146258" z3="-0.063652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746399" y3="1.387665" z3="0.490752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779776" y3="0.900783" z3="1.60412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616955" y3="1.791521" z3="1.335834">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421158" y3="2.024164" z3="0.271465">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954217" y3="2.154406" z3="-1.165959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903935" y3="2.200062" z3="0.437051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708323" y3="0.465091" z3="-0.656491">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094331" y3="1.660493" z3="2.797526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217406" y3="-0.703357" z3="-1.510187">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.66848" y3="-1.04232" z3="-1.231993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075152" y3="-1.798308" z3="-0.112145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653675" y3="-0.55841" z3="-2.10145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566378" y3="0.673384" z3="-1.207583">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089722" y3="-2.365788" z3="0.879228">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439404" y3="-2.040378" z3="0.105689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007073" y3="-0.81471" z3="-1.885351">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.40513" y3="-1.559564" z3="-0.775297">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472638" y3="-1.798085" z3="-1.822044">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389615" y3="-2.485006" z3="-0.750445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852775" y3="-0.428451" z3="-0.582728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.74175" y3="-4.378003" z3="0.735583">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.201002" y3="-4.242919" z3="1.317975">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500506" y3="-4.042435" z3="-0.29559">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591741" y3="3.23018" z3="-0.159789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516512" y3="2.0743" z3="0.846924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977684" y3="3.204278" z3="-1.481083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.615657" z3="-1.821967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333908" y3="2.821371" z3="-0.350751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153246" y3="2.608858" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560691" y3="-1.571071" z3="-1.401772">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121069" y3="-0.385284" z3="-2.554073">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350825" y3="0.027926" z3="-2.963804">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104735" y3="-1.905374" z3="0.835701">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458286" y3="-2.289631" z3="1.902784">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748471" y3="-2.605439" z3="0.981414">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746925" y3="-0.428523" z3="-2.579509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455891" y3="-1.757948" z3="-0.591024">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583287" y3="-2.285471" z3="-2.790508">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430735" y3="-1.894937" z3="-1.501957">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7606,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7034,-1.5102;5.6685,-1.0423,-1.232;6.0752,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8854;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4285,-.5827;5.7417,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6054,.9814;8.7469,-.4285,-2.5795;9.4559,-1.7579,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.502;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772427 0.0391879 0.0375318</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294711" y3="1.458147" z3="-1.568728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827987" y3="0.571872" z3="0.387047">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841741" y3="0.076333" z3="2.488516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302329" y3="2.103679" z3="3.661118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422247" y3="1.411855" z3="-0.343302">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.23279" y3="1.145116" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322054" y3="-3.7353" z3="-0.769281">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037088" y3="-1.724662" z3="0.008162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225713" y3="1.731261" z3="1.135261">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391807" y3="0.375788" z3="-0.292087">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753759" y3="-0.383933" z3="-2.028585">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.03813" y3="1.760519" z3="-1.816169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866195" y3="-3.854778" z3="0.642154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371678" y3="0.057052" z3="-3.147607">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518621" y3="1.338774" z3="-3.011154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496755" y3="2.146282" z3="-0.063666">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746408" y3="1.387694" z3="0.490733">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779791" y3="0.900806" z3="1.604103">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616944" y3="1.791536" z3="1.335826">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421153" y3="2.024173" z3="0.27146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154415" z3="-1.165965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.90393" y3="2.200064" z3="0.437051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708335" y3="0.465128" z3="-0.65651">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094314" y3="1.660509" z3="2.797521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217421" y3="-0.703314" z3="-1.510214">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668484" y3="-1.042302" z3="-1.23199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075117" y3="-1.798319" z3="-0.112147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653707" y3="-0.558385" z3="-2.101411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566361" y3="0.673358" z3="-1.20757">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089654" y3="-2.365811" z3="0.879187">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.43936" y3="-2.040412" z3="0.105716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007097" y3="-0.814707" z3="-1.885281">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405115" y3="-1.55959" z3="-0.775233">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472607" y3="-1.798118" z3="-1.821998">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389587" y3="-2.485031" z3="-0.750396">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852785" y3="-0.428413" z3="-0.582762">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741671" y3="-4.378027" z3="0.735513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200911" y3="-4.242945" z3="1.317876">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500451" y3="-4.042429" z3="-0.295679">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.59174" y3="3.230205" z3="-0.159804">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.51652" y3="2.074332" z3="0.846905">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977694" y3="3.204287" z3="-1.481092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.61566" z3="-1.82197">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.33391" y3="2.821366" z3="-0.350751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153239" y3="2.608864" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560692" y3="-1.57102" z3="-1.40183">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121114" y3="-0.385221" z3="-2.554097">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350888" y3="0.027974" z3="-2.963759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104673" y3="-1.905387" z3="0.835643">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458192" y3="-2.289677" z3="1.902755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748398" y3="-2.605496" z3="0.981437">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746972" y3="-0.428513" z3="-2.579411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455869" y3="-1.757992" z3="-0.590938">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583245" y3="-2.285517" z3="-2.790456">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430706" y3="-1.89496" z3="-1.501901">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5005,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9638;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9028;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7905;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772421 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294714" y3="1.458127" z3="-1.568716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.8280" y3="0.571875" z3="0.38703">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841721" y3="0.076311" z3="2.488534">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302346" y3="2.103659" z3="3.661127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422236" y3="1.411822" z3="-0.343293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232809" y3="1.145105" z3="2.967411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322091" y3="-3.735275" z3="-0.769347">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037103" y3="-1.724643" z3="0.008131">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225723" y3="1.731241" z3="1.135273">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391796" y3="0.375754" z3="-0.292063">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753783" y3="-0.383897" z3="-2.028611">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038145" y3="1.760554" z3="-1.816166">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866268" y3="-3.854762" z3="0.64223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371705" y3="0.057105" z3="-3.147626">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518643" y3="1.338826" z3="-3.011154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496751" y3="2.146258" z3="-0.063652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746399" y3="1.387665" z3="0.490752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779777" y3="0.900783" z3="1.60412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616954" y3="1.791521" z3="1.335834">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421158" y3="2.024164" z3="0.271465">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954217" y3="2.154406" z3="-1.165959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903934" y3="2.200062" z3="0.43705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708323" y3="0.465092" z3="-0.656491">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.09433" y3="1.660493" z3="2.797526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217406" y3="-0.703356" z3="-1.510187">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.66848" y3="-1.04232" z3="-1.231993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075152" y3="-1.798308" z3="-0.112145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653675" y3="-0.55841" z3="-2.10145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566377" y3="0.673384" z3="-1.207583">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.08972" y3="-2.365788" z3="0.879227">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439403" y3="-2.040379" z3="0.105689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007074" y3="-0.81471" z3="-1.88535">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.40513" y3="-1.559564" z3="-0.775296">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472638" y3="-1.798086" z3="-1.822043">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389614" y3="-2.485006" z3="-0.750444">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852775" y3="-0.42845" z3="-0.582729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741748" y3="-4.378004" z3="0.735581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.2010" y3="-4.242919" z3="1.317973">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500505" y3="-4.042435" z3="-0.295592">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591742" y3="3.23018" z3="-0.159789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516512" y3="2.074301" z3="0.846924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977684" y3="3.204279" z3="-1.481083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.615658" z3="-1.821967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333908" y3="2.821371" z3="-0.350751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153246" y3="2.608858" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560691" y3="-1.57107" z3="-1.401773">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.12107" y3="-0.385283" z3="-2.554074">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350827" y3="0.027927" z3="-2.963803">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104734" y3="-1.905374" z3="0.8357">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458284" y3="-2.289632" z3="1.902784">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.74847" y3="-2.60544" z3="0.981415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746926" y3="-0.428523" z3="-2.579507">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.45589" y3="-1.757949" z3="-0.591023">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583287" y3="-2.285473" z3="-2.790507">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430735" y3="-1.894938" z3="-1.501955">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7606,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7034,-1.5102;5.6685,-1.0423,-1.232;6.0752,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8854;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5827;5.7417,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6054,.9814;8.7469,-.4285,-2.5795;9.4559,-1.7579,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.502;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772427 0.0391879 0.0375318</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294711" y3="1.458147" z3="-1.568727">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827988" y3="0.571873" z3="0.387046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841741" y3="0.076332" z3="2.488516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302329" y3="2.103678" z3="3.661118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422247" y3="1.411854" z3="-0.343302">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232791" y3="1.145116" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322055" y3="-3.735299" z3="-0.769283">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037088" y3="-1.724662" z3="0.008161">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225713" y3="1.731261" z3="1.135261">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391806" y3="0.375787" z3="-0.292087">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753759" y3="-0.383932" z3="-2.028585">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.03813" y3="1.76052" z3="-1.816169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866197" y3="-3.854778" z3="0.642156">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371679" y3="0.057053" z3="-3.147608">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518621" y3="1.338775" z3="-3.011154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496754" y3="2.146282" z3="-0.063666">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746408" y3="1.387694" z3="0.490734">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779791" y3="0.900805" z3="1.604104">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616944" y3="1.791536" z3="1.335827">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421153" y3="2.024173" z3="0.271461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154415" z3="-1.165965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.90393" y3="2.200064" z3="0.437051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708335" y3="0.465127" z3="-0.65651">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094315" y3="1.660508" z3="2.797521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217421" y3="-0.703315" z3="-1.510213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668484" y3="-1.042303" z3="-1.23199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075118" y3="-1.798319" z3="-0.112147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653706" y3="-0.558386" z3="-2.101412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566361" y3="0.673359" z3="-1.20757">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089656" y3="-2.36581" z3="0.879188">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439361" y3="-2.040411" z3="0.105716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007096" y3="-0.814707" z3="-1.885283">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405116" y3="-1.55959" z3="-0.775235">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472608" y3="-1.798117" z3="-1.821999">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389588" y3="-2.48503" z3="-0.750398">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852785" y3="-0.428414" z3="-0.582761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741673" y3="-4.378027" z3="0.735515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200913" y3="-4.242944" z3="1.317878">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500453" y3="-4.042429" z3="-0.295676">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.59174" y3="3.230204" z3="-0.159803">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516519" y3="2.074331" z3="0.846905">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977694" y3="3.204287" z3="-1.481092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.61566" z3="-1.821969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.33391" y3="2.821366" z3="-0.350751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153239" y3="2.608864" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560692" y3="-1.571022" z3="-1.401828">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121113" y3="-0.385223" z3="-2.554096">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350886" y3="0.027973" z3="-2.96376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104675" y3="-1.905386" z3="0.835645">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458194" y3="-2.289676" z3="1.902756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.7484" y3="-2.605495" z3="0.981437">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.74697" y3="-0.428514" z3="-2.579414">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455869" y3="-1.757991" z3="-0.590941">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583246" y3="-2.285516" z3="-2.790457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430707" y3="-1.89496" z3="-1.501902">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5005,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9638;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9028;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7905;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772421 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294713" y3="1.458127" z3="-1.568716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.8280" y3="0.571875" z3="0.387031">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841721" y3="0.076312" z3="2.488533">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302346" y3="2.10366" z3="3.661127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422236" y3="1.411823" z3="-0.343292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232809" y3="1.145105" z3="2.967411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322091" y3="-3.735276" z3="-0.769345">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037103" y3="-1.724643" z3="0.008131">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225723" y3="1.731241" z3="1.135272">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391796" y3="0.375755" z3="-0.292064">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753782" y3="-0.383898" z3="-2.02861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038144" y3="1.760553" z3="-1.816167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866266" y3="-3.854762" z3="0.642228">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371704" y3="0.057104" z3="-3.147625">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518642" y3="1.338825" z3="-3.011155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496751" y3="2.146259" z3="-0.063652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746399" y3="1.387666" z3="0.490752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779777" y3="0.900783" z3="1.604119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616954" y3="1.791522" z3="1.335833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421158" y3="2.024164" z3="0.271465">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954217" y3="2.154406" z3="-1.165959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903934" y3="2.200063" z3="0.43705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708324" y3="0.465093" z3="-0.656491">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.09433" y3="1.660494" z3="2.797526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217407" y3="-0.703355" z3="-1.510188">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668481" y3="-1.042319" z3="-1.231993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075151" y3="-1.798308" z3="-0.112145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653676" y3="-0.558409" z3="-2.101449">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566377" y3="0.673383" z3="-1.207583">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089719" y3="-2.365789" z3="0.879226">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439402" y3="-2.040379" z3="0.10569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007074" y3="-0.81471" z3="-1.885348">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405129" y3="-1.559565" z3="-0.775294">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472637" y3="-1.798087" z3="-1.822042">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389614" y3="-2.485007" z3="-0.750443">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852775" y3="-0.428449" z3="-0.582729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741747" y3="-4.378004" z3="0.73558">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200998" y3="-4.24292" z3="1.317971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500504" y3="-4.042435" z3="-0.295594">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591742" y3="3.230181" z3="-0.159789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516512" y3="2.074301" z3="0.846924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977684" y3="3.204279" z3="-1.481083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.615658" z3="-1.821967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333908" y3="2.821371" z3="-0.350751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153246" y3="2.608858" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560691" y3="-1.571069" z3="-1.401775">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121071" y3="-0.385281" z3="-2.554074">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350828" y3="0.027928" z3="-2.963802">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104733" y3="-1.905375" z3="0.835698">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458282" y3="-2.289633" z3="1.902783">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748468" y3="-2.605442" z3="0.981415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746927" y3="-0.428523" z3="-2.579505">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.45589" y3="-1.75795" z3="-0.591021">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583286" y3="-2.285474" z3="-2.790505">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430734" y3="-1.894938" z3="-1.501954">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7606,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7034,-1.5102;5.6685,-1.0423,-1.232;6.0752,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5827;5.7417,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6054,.9814;8.7469,-.4285,-2.5795;9.4559,-1.7579,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.502;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772427 0.0391879 0.0375318</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294712" y3="1.458146" z3="-1.568727">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827988" y3="0.571873" z3="0.387046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.84174" y3="0.076332" z3="2.488516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.30233" y3="2.103678" z3="3.661118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422247" y3="1.411854" z3="-0.343302">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232791" y3="1.145116" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322056" y3="-3.735299" z3="-0.769285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037089" y3="-1.724662" z3="0.008161">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225713" y3="1.73126" z3="1.135261">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391806" y3="0.375786" z3="-0.292086">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.75376" y3="-0.383931" z3="-2.028586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038131" y3="1.760521" z3="-1.816169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866199" y3="-3.854777" z3="0.642158">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371679" y3="0.057054" z3="-3.147608">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518622" y3="1.338777" z3="-3.011154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496754" y3="2.146281" z3="-0.063665">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746408" y3="1.387693" z3="0.490734">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.77979" y3="0.900805" z3="1.604104">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616944" y3="1.791536" z3="1.335827">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421153" y3="2.024173" z3="0.271461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154415" z3="-1.165965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.90393" y3="2.200064" z3="0.437051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708335" y3="0.465126" z3="-0.656509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094315" y3="1.660508" z3="2.797521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.21742" y3="-0.703316" z3="-1.510213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668484" y3="-1.042303" z3="-1.23199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075119" y3="-1.798319" z3="-0.112147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653706" y3="-0.558386" z3="-2.101412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566361" y3="0.67336" z3="-1.207571">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089657" y3="-2.36581" z3="0.879189">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439362" y3="-2.04041" z3="0.105715">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007096" y3="-0.814707" z3="-1.885285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405116" y3="-1.559589" z3="-0.775236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472608" y3="-1.798116" z3="-1.8220">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389588" y3="-2.48503" z3="-0.750399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852784" y3="-0.428414" z3="-0.58276">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741674" y3="-4.378026" z3="0.735516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200915" y3="-4.242944" z3="1.317881">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500454" y3="-4.042429" z3="-0.295675">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.59174" y3="3.230204" z3="-0.159803">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516519" y3="2.07433" z3="0.846906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977693" y3="3.204286" z3="-1.481092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.61566" z3="-1.821969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.33391" y3="2.821366" z3="-0.350751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153239" y3="2.608864" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560692" y3="-1.571023" z3="-1.401827">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121112" y3="-0.385224" z3="-2.554096">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350884" y3="0.027972" z3="-2.963761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104676" y3="-1.905386" z3="0.835646">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458196" y3="-2.289675" z3="1.902756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748402" y3="-2.605493" z3="0.981436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746969" y3="-0.428514" z3="-2.579416">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.45587" y3="-1.75799" z3="-0.590942">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583247" y3="-2.285515" z3="-2.790458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430707" y3="-1.894959" z3="-1.501904">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5005,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9638;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9028;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7905;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772422 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294713" y3="1.458128" z3="-1.568716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.8280" y3="0.571875" z3="0.387031">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841721" y3="0.076312" z3="2.488533">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302346" y3="2.10366" z3="3.661126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422237" y3="1.411824" z3="-0.343292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232808" y3="1.145105" z3="2.967411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.32209" y3="-3.735276" z3="-0.769343">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037103" y3="-1.724644" z3="0.008132">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225722" y3="1.731242" z3="1.135272">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391796" y3="0.375756" z3="-0.292064">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753782" y3="-0.383899" z3="-2.02861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038143" y3="1.760552" z3="-1.816167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866264" y3="-3.854763" z3="0.642226">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371703" y3="0.057102" z3="-3.147625">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518641" y3="1.338823" z3="-3.011155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496751" y3="2.146259" z3="-0.063652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746399" y3="1.387667" z3="0.490752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779777" y3="0.900784" z3="1.604119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616954" y3="1.791522" z3="1.335833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421158" y3="2.024165" z3="0.271465">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954217" y3="2.154407" z3="-1.165959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903934" y3="2.200063" z3="0.43705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708324" y3="0.465094" z3="-0.656492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.09433" y3="1.660494" z3="2.797526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217407" y3="-0.703354" z3="-1.510189">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668481" y3="-1.042319" z3="-1.231993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.07515" y3="-1.798308" z3="-0.112145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653677" y3="-0.558408" z3="-2.101448">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566376" y3="0.673382" z3="-1.207583">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089717" y3="-2.365789" z3="0.879225">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439401" y3="-2.04038" z3="0.10569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007075" y3="-0.81471" z3="-1.885347">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405129" y3="-1.559566" z3="-0.775293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472637" y3="-1.798088" z3="-1.822041">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389614" y3="-2.485007" z3="-0.750441">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852775" y3="-0.428448" z3="-0.58273">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741745" y3="-4.378005" z3="0.735578">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200996" y3="-4.242921" z3="1.317968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500503" y3="-4.042435" z3="-0.295596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591742" y3="3.230182" z3="-0.15979">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516513" y3="2.074302" z3="0.846924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977684" y3="3.204279" z3="-1.481083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.615658" z3="-1.821968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333908" y3="2.821371" z3="-0.350751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153246" y3="2.608858" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560691" y3="-1.571067" z3="-1.401776">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121072" y3="-0.385279" z3="-2.554075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350829" y3="0.02793" z3="-2.963801">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104731" y3="-1.905375" z3="0.835697">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.45828" y3="-2.289634" z3="1.902782">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748467" y3="-2.605443" z3="0.981415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746928" y3="-0.428522" z3="-2.579503">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.45589" y3="-1.757951" z3="-0.591019">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583285" y3="-2.285475" z3="-2.790504">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430734" y3="-1.894939" z3="-1.501952">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7606,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7034,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5827;5.7417,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6054,.9814;8.7469,-.4285,-2.5795;9.4559,-1.758,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.502;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772427 0.0391879 0.0375318</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294712" y3="1.458145" z3="-1.568727">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827988" y3="0.571873" z3="0.387046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.84174" y3="0.076331" z3="2.488517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.30233" y3="2.103677" z3="3.661119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422247" y3="1.411853" z3="-0.343302">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232792" y3="1.145116" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322057" y3="-3.735298" z3="-0.769286">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037089" y3="-1.724661" z3="0.00816">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225714" y3="1.73126" z3="1.135262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391806" y3="0.375785" z3="-0.292085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753761" y3="-0.38393" z3="-2.028587">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038131" y3="1.760522" z3="-1.816169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866201" y3="-3.854777" z3="0.64216">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.37168" y3="0.057056" z3="-3.147609">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518623" y3="1.338778" z3="-3.011154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496754" y3="2.14628" z3="-0.063665">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746407" y3="1.387692" z3="0.490735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.77979" y3="0.900804" z3="1.604104">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616945" y3="1.791535" z3="1.335827">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421153" y3="2.024173" z3="0.271461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154414" z3="-1.165965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.90393" y3="2.200064" z3="0.437051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708334" y3="0.465125" z3="-0.656509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094315" y3="1.660508" z3="2.797521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.21742" y3="-0.703317" z3="-1.510212">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668484" y3="-1.042304" z3="-1.23199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.07512" y3="-1.798318" z3="-0.112147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653705" y3="-0.558387" z3="-2.101413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566362" y3="0.67336" z3="-1.207571">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089659" y3="-2.365809" z3="0.87919">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439363" y3="-2.040409" z3="0.105715">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007095" y3="-0.814707" z3="-1.885287">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405116" y3="-1.559588" z3="-0.775238">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472609" y3="-1.798116" z3="-1.822001">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389589" y3="-2.485029" z3="-0.7504">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852784" y3="-0.428415" z3="-0.582759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741676" y3="-4.378025" z3="0.735518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200918" y3="-4.242943" z3="1.317883">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500455" y3="-4.042429" z3="-0.295672">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.59174" y3="3.230203" z3="-0.159803">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516519" y3="2.07433" z3="0.846906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977693" y3="3.204286" z3="-1.481091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.61566" z3="-1.821969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.33391" y3="2.821366" z3="-0.350751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153239" y3="2.608864" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560691" y3="-1.571024" z3="-1.401826">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121111" y3="-0.385226" z3="-2.554095">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350883" y3="0.027971" z3="-2.963762">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104678" y3="-1.905386" z3="0.835648">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458199" y3="-2.289674" z3="1.902757">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748404" y3="-2.605492" z3="0.981436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746968" y3="-0.428514" z3="-2.579418">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.45587" y3="-1.757989" z3="-0.590945">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583248" y3="-2.285514" z3="-2.79046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430708" y3="-1.894958" z3="-1.501905">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5005,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9638;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9028;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7905;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772422 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294713" y3="1.458129" z3="-1.568717">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827999" y3="0.571875" z3="0.387032">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841721" y3="0.076312" z3="2.488532">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302346" y3="2.10366" z3="3.661126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422237" y3="1.411824" z3="-0.343292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232808" y3="1.145106" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322089" y3="-3.735277" z3="-0.769341">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037103" y3="-1.724644" z3="0.008133">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225722" y3="1.731243" z3="1.135272">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391797" y3="0.375757" z3="-0.292065">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753781" y3="-0.3839" z3="-2.028609">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038143" y3="1.760551" z3="-1.816167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866263" y3="-3.854763" z3="0.642224">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371702" y3="0.057101" z3="-3.147625">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.51864" y3="1.338822" z3="-3.011155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496751" y3="2.14626" z3="-0.063653">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.7464" y3="1.387667" z3="0.490751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779777" y3="0.900784" z3="1.604118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616954" y3="1.791523" z3="1.335833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421158" y3="2.024165" z3="0.271464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954217" y3="2.154407" z3="-1.165959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903934" y3="2.200063" z3="0.43705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708324" y3="0.465095" z3="-0.656492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.09433" y3="1.660494" z3="2.797526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217407" y3="-0.703353" z3="-1.510189">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668481" y3="-1.042318" z3="-1.231993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075149" y3="-1.798309" z3="-0.112146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653678" y3="-0.558407" z3="-2.101447">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566376" y3="0.673382" z3="-1.207583">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089716" y3="-2.36579" z3="0.879224">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.4394" y3="-2.040381" z3="0.105691">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007075" y3="-0.81471" z3="-1.885345">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405129" y3="-1.559566" z3="-0.775292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472636" y3="-1.798089" z3="-1.822039">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389613" y3="-2.485008" z3="-0.75044">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852775" y3="-0.428447" z3="-0.582731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741743" y3="-4.378005" z3="0.735576">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200994" y3="-4.242921" z3="1.317966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500502" y3="-4.042435" z3="-0.295599">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591742" y3="3.230182" z3="-0.15979">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516513" y3="2.074303" z3="0.846924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977684" y3="3.20428" z3="-1.481084">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.615658" z3="-1.821968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333908" y3="2.82137" z3="-0.350751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153246" y3="2.608859" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560691" y3="-1.571066" z3="-1.401778">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121073" y3="-0.385277" z3="-2.554075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350831" y3="0.027931" z3="-2.9638">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.10473" y3="-1.905375" z3="0.835695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458278" y3="-2.289635" z3="1.902781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748465" y3="-2.605445" z3="0.981416">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746929" y3="-0.428522" z3="-2.5795">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455889" y3="-1.757953" z3="-0.591017">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583284" y3="-2.285477" z3="-2.790502">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430733" y3="-1.89494" z3="-1.50195">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7606,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7034,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5827;5.7417,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6054,.9814;8.7469,-.4285,-2.5795;9.4559,-1.758,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772427 0.0391879 0.0375319</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294712" y3="1.458145" z3="-1.568726">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827989" y3="0.571873" z3="0.387045">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841739" y3="0.076331" z3="2.488517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302331" y3="2.103677" z3="3.661119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422246" y3="1.411852" z3="-0.343301">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232792" y3="1.145115" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322058" y3="-3.735297" z3="-0.769288">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037089" y3="-1.724661" z3="0.008159">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225714" y3="1.731259" z3="1.135262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391806" y3="0.375784" z3="-0.292085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753761" y3="-0.383929" z3="-2.028587">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038132" y3="1.760523" z3="-1.816169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866203" y3="-3.854776" z3="0.642162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371681" y3="0.057057" z3="-3.147609">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518623" y3="1.338779" z3="-3.011154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496754" y3="2.14628" z3="-0.063665">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746407" y3="1.387691" z3="0.490735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.77979" y3="0.900804" z3="1.604105">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616945" y3="1.791535" z3="1.335827">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421153" y3="2.024173" z3="0.271461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154414" z3="-1.165965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.90393" y3="2.200064" z3="0.437051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708334" y3="0.465124" z3="-0.656508">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094316" y3="1.660507" z3="2.797521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217419" y3="-0.703318" z3="-1.510211">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668483" y3="-1.042304" z3="-1.23199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075121" y3="-1.798318" z3="-0.112147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653704" y3="-0.558388" z3="-2.101415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566362" y3="0.673361" z3="-1.207571">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089661" y3="-2.365809" z3="0.879191">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439364" y3="-2.040408" z3="0.105714">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007094" y3="-0.814708" z3="-1.885288">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405117" y3="-1.559588" z3="-0.775239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.47261" y3="-1.798115" z3="-1.822002">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.38959" y3="-2.485029" z3="-0.750401">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852784" y3="-0.428416" z3="-0.582758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741678" y3="-4.378025" z3="0.735519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.20092" y3="-4.242943" z3="1.317886">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500457" y3="-4.042429" z3="-0.29567">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.59174" y3="3.230202" z3="-0.159802">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516519" y3="2.074329" z3="0.846907">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977693" y3="3.204286" z3="-1.481091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.61566" z3="-1.821969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.33391" y3="2.821366" z3="-0.350751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.15324" y3="2.608864" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560691" y3="-1.571025" z3="-1.401824">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.12111" y3="-0.385228" z3="-2.554095">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350881" y3="0.027969" z3="-2.963763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104679" y3="-1.905385" z3="0.835649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458201" y3="-2.289673" z3="1.902758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748405" y3="-2.60549" z3="0.981435">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746967" y3="-0.428515" z3="-2.579421">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455871" y3="-1.757988" z3="-0.590947">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583249" y3="-2.285513" z3="-2.790461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430708" y3="-1.894958" z3="-1.501906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5005,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9638;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9028;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7905;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772422 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294713" y3="1.45813" z3="-1.568717">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827999" y3="0.571875" z3="0.387032">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841722" y3="0.076313" z3="2.488532">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302345" y3="2.103661" z3="3.661126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422237" y3="1.411825" z3="-0.343291">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232808" y3="1.145106" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322088" y3="-3.735277" z3="-0.769339">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037103" y3="-1.724644" z3="0.008133">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225722" y3="1.731243" z3="1.135272">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391797" y3="0.375758" z3="-0.292065">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.75378" y3="-0.383901" z3="-2.028608">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038142" y3="1.760551" z3="-1.816168">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866261" y3="-3.854764" z3="0.642222">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371702" y3="0.057099" z3="-3.147624">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518639" y3="1.33882" z3="-3.011156">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496751" y3="2.146261" z3="-0.063653">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.7464" y3="1.387668" z3="0.490751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779777" y3="0.900785" z3="1.604118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616954" y3="1.791523" z3="1.335833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421158" y3="2.024165" z3="0.271464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954217" y3="2.154408" z3="-1.16596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903934" y3="2.200063" z3="0.43705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708325" y3="0.465096" z3="-0.656492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.09433" y3="1.660495" z3="2.797526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217408" y3="-0.703352" z3="-1.51019">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668481" y3="-1.042318" z3="-1.231993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075148" y3="-1.798309" z3="-0.112146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653679" y3="-0.558407" z3="-2.101446">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566375" y3="0.673381" z3="-1.207582">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089714" y3="-2.365791" z3="0.879223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439399" y3="-2.040382" z3="0.105691">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007076" y3="-0.81471" z3="-1.885343">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405128" y3="-1.559567" z3="-0.77529">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472635" y3="-1.79809" z3="-1.822038">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389612" y3="-2.485008" z3="-0.750438">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852776" y3="-0.428446" z3="-0.582732">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741741" y3="-4.378006" z3="0.735574">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200992" y3="-4.242922" z3="1.317964">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500501" y3="-4.042434" z3="-0.295601">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591742" y3="3.230183" z3="-0.15979">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516513" y3="2.074303" z3="0.846924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977684" y3="3.20428" z3="-1.481084">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.615659" z3="-1.821968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333908" y3="2.82137" z3="-0.350752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153246" y3="2.608859" z3="1.411687">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560691" y3="-1.571065" z3="-1.401779">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121074" y3="-0.385276" z3="-2.554076">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350832" y3="0.027932" z3="-2.963799">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104728" y3="-1.905376" z3="0.835694">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458275" y3="-2.289636" z3="1.902781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748463" y3="-2.605446" z3="0.981416">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.74693" y3="-0.428522" z3="-2.579498">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455888" y3="-1.757954" z3="-0.591015">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583282" y3="-2.285478" z3="-2.790501">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430732" y3="-1.89494" z3="-1.501949">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7606,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7034,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5827;5.7417,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6054,.9814;8.7469,-.4285,-2.5795;9.4559,-1.758,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772426 0.0391879 0.0375319</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294709" y3="1.458153" z3="-1.56873">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827984" y3="0.571874" z3="0.38705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841742" y3="0.076335" z3="2.488512">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302328" y3="2.10368" z3="3.661117">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422249" y3="1.411861" z3="-0.343303">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232791" y3="1.145121" z3="2.967406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322041" y3="-3.735305" z3="-0.769264">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037084" y3="-1.724667" z3="0.008169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225711" y3="1.731266" z3="1.135259">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391808" y3="0.375793" z3="-0.29209">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753753" y3="-0.383942" z3="-2.028579">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038128" y3="1.760511" z3="-1.816171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866181" y3="-3.854782" z3="0.642138">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371673" y3="0.057038" z3="-3.147603">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518617" y3="1.338761" z3="-3.011155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496756" y3="2.146287" z3="-0.063667">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746409" y3="1.387699" z3="0.490732">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779792" y3="0.900809" z3="1.604101">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616943" y3="1.79154" z3="1.335824">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421151" y3="2.024178" z3="0.271458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954217" y3="2.15442" z3="-1.165967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903929" y3="2.200067" z3="0.437049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708337" y3="0.465134" z3="-0.656513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094314" y3="1.660511" z3="2.797519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217423" y3="-0.703306" z3="-1.510219">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668484" y3="-1.042299" z3="-1.231989">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.07511" y3="-1.798322" z3="-0.112148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653712" y3="-0.558379" z3="-2.101402">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566357" y3="0.673354" z3="-1.207568">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089641" y3="-2.365817" z3="0.879179">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439351" y3="-2.040419" z3="0.105721">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.0071" y3="-0.814705" z3="-1.885268">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405112" y3="-1.559595" z3="-0.775222">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472598" y3="-1.798125" z3="-1.821986">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389579" y3="-2.485037" z3="-0.750384">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852786" y3="-0.428406" z3="-0.582766">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741655" y3="-4.378033" z3="0.735497">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200893" y3="-4.242951" z3="1.317856">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500439" y3="-4.042427" z3="-0.295697">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591742" y3="3.23021" z3="-0.159804">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516521" y3="2.074336" z3="0.846904">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977693" y3="3.204292" z3="-1.481093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645689" y3="1.615665" z3="-1.821972">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.33391" y3="2.821366" z3="-0.350756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153238" y3="2.60887" z3="1.411684">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560691" y3="-1.571011" z3="-1.40184">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121122" y3="-0.38521" z3="-2.554101">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350898" y3="0.027985" z3="-2.963749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104662" y3="-1.90539" z3="0.835633">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458175" y3="-2.289689" z3="1.902749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748384" y3="-2.605508" z3="0.98144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746979" y3="-0.428509" z3="-2.579392">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455864" y3="-1.7580" z3="-0.590923">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583233" y3="-2.285528" z3="-2.790443">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430697" y3="-1.894964" z3="-1.501887">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4582,-1.5687;-4.828,.5719,.3871;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.322,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6421;-6.3717,.057,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0896,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.243,1.3179;4.5004,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9637;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9027;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7904;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772420 0.0391881 0.0375321</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294712" y3="1.458129" z3="-1.568715">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.8280" y3="0.571877" z3="0.387029">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841716" y3="0.076308" z3="2.488534">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302351" y3="2.103656" z3="3.661127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422236" y3="1.41182" z3="-0.343287">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232814" y3="1.145105" z3="2.967407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322091" y3="-3.735275" z3="-0.769343">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037105" y3="-1.724642" z3="0.008131">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225724" y3="1.731241" z3="1.135274">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391795" y3="0.375753" z3="-0.292061">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753783" y3="-0.383897" z3="-2.028611">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038144" y3="1.760554" z3="-1.816169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.86627" y3="-3.854762" z3="0.642232">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371705" y3="0.057103" z3="-3.147627">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518642" y3="1.338825" z3="-3.011157">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496751" y3="2.146258" z3="-0.063649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746398" y3="1.387664" z3="0.490755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779774" y3="0.900781" z3="1.604121">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616956" y3="1.791522" z3="1.335833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421158" y3="2.024166" z3="0.271464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954215" y3="2.154409" z3="-1.165959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903935" y3="2.200064" z3="0.437048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708323" y3="0.465091" z3="-0.656488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094335" y3="1.660492" z3="2.797525">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217406" y3="-0.703356" z3="-1.510186">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.66848" y3="-1.04232" z3="-1.231993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075153" y3="-1.798308" z3="-0.112146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653674" y3="-0.558409" z3="-2.101451">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566377" y3="0.673384" z3="-1.207585">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089723" y3="-2.365788" z3="0.879227">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439404" y3="-2.040379" z3="0.105686">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007073" y3="-0.81471" z3="-1.885353">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.40513" y3="-1.559565" z3="-0.7753">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472638" y3="-1.798086" z3="-1.822042">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389615" y3="-2.485006" z3="-0.750442">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852774" y3="-0.42845" z3="-0.582728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741751" y3="-4.378004" z3="0.735583">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.201003" y3="-4.242919" z3="1.317976">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500507" y3="-4.042436" z3="-0.29559">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591743" y3="3.230181" z3="-0.159785">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516512" y3="2.074298" z3="0.846929">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977681" y3="3.204282" z3="-1.481082">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645689" y3="1.615662" z3="-1.821969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333907" y3="2.821371" z3="-0.350755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153247" y3="2.608861" z3="1.411684">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560691" y3="-1.57107" z3="-1.401772">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121068" y3="-0.385282" z3="-2.554072">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350824" y3="0.027928" z3="-2.963804">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104737" y3="-1.905374" z3="0.835701">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458288" y3="-2.289631" z3="1.902784">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748473" y3="-2.605442" z3="0.981411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746924" y3="-0.428522" z3="-2.579511">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455891" y3="-1.75795" z3="-0.591029">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583287" y3="-2.285474" z3="-2.790505">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430735" y3="-1.894938" z3="-1.501954">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3024,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7606,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0636;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7034,-1.5102;5.6685,-1.0423,-1.232;6.0752,-1.7983,-.1121;6.6537,-.5584,-2.1015;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8854;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5827;5.7418,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6054,.9814;8.7469,-.4285,-2.5795;9.4559,-1.7579,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.502;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772427 0.0391879 0.0375318</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294709" y3="1.458149" z3="-1.568726">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827987" y3="0.571874" z3="0.387046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841738" y3="0.076329" z3="2.488516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302332" y3="2.103674" z3="3.661119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422247" y3="1.411854" z3="-0.343299">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232795" y3="1.145117" z3="2.967407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322054" y3="-3.735299" z3="-0.769278">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037089" y3="-1.724661" z3="0.008162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225714" y3="1.731261" z3="1.135262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391806" y3="0.375786" z3="-0.292085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753758" y3="-0.383934" z3="-2.028585">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038129" y3="1.760519" z3="-1.816172">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866197" y3="-3.854777" z3="0.642156">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371677" y3="0.05705" z3="-3.147608">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.51862" y3="1.338772" z3="-3.011156">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496755" y3="2.146282" z3="-0.063663">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746407" y3="1.387693" z3="0.490736">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779789" y3="0.900803" z3="1.604105">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616945" y3="1.791536" z3="1.335826">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421152" y3="2.024175" z3="0.27146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954216" y3="2.154418" z3="-1.165966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.90393" y3="2.200066" z3="0.437049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708335" y3="0.465127" z3="-0.656508">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094318" y3="1.660507" z3="2.79752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.21742" y3="-0.703314" z3="-1.510213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668483" y3="-1.042302" z3="-1.23199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075118" y3="-1.798319" z3="-0.112148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653706" y3="-0.558386" z3="-2.101412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.56636" y3="0.673359" z3="-1.207572">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089656" y3="-2.36581" z3="0.879188">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439361" y3="-2.040411" z3="0.105714">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007096" y3="-0.814708" z3="-1.885285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405115" y3="-1.55959" z3="-0.775237">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472607" y3="-1.798118" z3="-1.821996">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389588" y3="-2.48503" z3="-0.750395">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852784" y3="-0.428413" z3="-0.582761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741672" y3="-4.378026" z3="0.735514">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200913" y3="-4.242944" z3="1.317879">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500452" y3="-4.042428" z3="-0.295677">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591742" y3="3.230205" z3="-0.1598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516519" y3="2.074329" z3="0.846909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977691" y3="3.20429" z3="-1.481091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645689" y3="1.615664" z3="-1.821971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333909" y3="2.821367" z3="-0.350755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.15324" y3="2.608867" z3="1.411684">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560691" y3="-1.571021" z3="-1.401829">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121113" y3="-0.38522" z3="-2.554096">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350885" y3="0.027974" z3="-2.963761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104675" y3="-1.905386" z3="0.835645">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458195" y3="-2.289676" z3="1.902755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.7484" y3="-2.605495" z3="0.981435">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.74697" y3="-0.428514" z3="-2.579416">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455869" y3="-1.757993" z3="-0.590943">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583245" y3="-2.285519" z3="-2.790454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430706" y3="-1.89496" z3="-1.501899">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6422;-6.3717,.057,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5005,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9638;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9028;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7905;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772421 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294711" y3="1.45813" z3="-1.568715">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.8280" y3="0.571877" z3="0.38703">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841717" y3="0.076308" z3="2.488533">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.30235" y3="2.103656" z3="3.661127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422237" y3="1.411821" z3="-0.343286">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232813" y3="1.145105" z3="2.967407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.32209" y3="-3.735275" z3="-0.76934">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037105" y3="-1.724642" z3="0.008132">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225724" y3="1.731241" z3="1.135274">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391796" y3="0.375755" z3="-0.292062">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753782" y3="-0.383899" z3="-2.02861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038143" y3="1.760553" z3="-1.81617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866268" y3="-3.854763" z3="0.642229">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371703" y3="0.057101" z3="-3.147626">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.51864" y3="1.338822" z3="-3.011158">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496751" y3="2.146259" z3="-0.063649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746399" y3="1.387665" z3="0.490755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779774" y3="0.900781" z3="1.60412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616956" y3="1.791522" z3="1.335833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421158" y3="2.024166" z3="0.271464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954215" y3="2.15441" z3="-1.16596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903935" y3="2.200064" z3="0.437048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708323" y3="0.465092" z3="-0.656488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094334" y3="1.660492" z3="2.797525">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217406" y3="-0.703354" z3="-1.510187">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.66848" y3="-1.042319" z3="-1.231993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075152" y3="-1.798308" z3="-0.112146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653675" y3="-0.558409" z3="-2.10145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566376" y3="0.673383" z3="-1.207585">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089721" y3="-2.365789" z3="0.879226">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439403" y3="-2.04038" z3="0.105687">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007073" y3="-0.814711" z3="-1.885351">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.40513" y3="-1.559566" z3="-0.775298">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472637" y3="-1.798088" z3="-1.82204">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389614" y3="-2.485006" z3="-0.75044">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852774" y3="-0.428448" z3="-0.582729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741749" y3="-4.378004" z3="0.735581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.2010" y3="-4.24292" z3="1.317973">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500506" y3="-4.042435" z3="-0.295593">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591743" y3="3.230182" z3="-0.159785">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516512" y3="2.074299" z3="0.846929">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977681" y3="3.204283" z3="-1.481082">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645689" y3="1.615662" z3="-1.821969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333907" y3="2.821371" z3="-0.350755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153247" y3="2.608862" z3="1.411684">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560691" y3="-1.571068" z3="-1.401774">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121069" y3="-0.385279" z3="-2.554072">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350826" y3="0.027929" z3="-2.963803">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104734" y3="-1.905375" z3="0.835699">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458285" y3="-2.289632" z3="1.902783">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.74847" y3="-2.605443" z3="0.981411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746926" y3="-0.428523" z3="-2.579509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.45589" y3="-1.757952" z3="-0.591026">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583285" y3="-2.285476" z3="-2.790503">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430734" y3="-1.894939" z3="-1.501951">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7606,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0636;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7034,-1.5102;5.6685,-1.0423,-1.232;6.0752,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8854;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5827;5.7417,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6054,.9814;8.7469,-.4285,-2.5795;9.4559,-1.758,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.502;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772427 0.0391879 0.0375318</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.29471" y3="1.458148" z3="-1.568726">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827988" y3="0.571874" z3="0.387046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841738" y3="0.076329" z3="2.488516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302332" y3="2.103674" z3="3.661119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422247" y3="1.411853" z3="-0.343299">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232794" y3="1.145116" z3="2.967407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322055" y3="-3.735299" z3="-0.769281">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037089" y3="-1.724661" z3="0.008161">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225714" y3="1.73126" z3="1.135262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391806" y3="0.375786" z3="-0.292085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753759" y3="-0.383933" z3="-2.028586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.03813" y3="1.76052" z3="-1.816171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866198" y3="-3.854776" z3="0.642158">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371678" y3="0.057052" z3="-3.147608">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518621" y3="1.338774" z3="-3.011156">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496755" y3="2.146282" z3="-0.063663">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746407" y3="1.387692" z3="0.490736">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779789" y3="0.900803" z3="1.604105">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616945" y3="1.791536" z3="1.335827">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421153" y3="2.024174" z3="0.27146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954217" y3="2.154417" z3="-1.165965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.90393" y3="2.200066" z3="0.437049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708335" y3="0.465126" z3="-0.656508">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094318" y3="1.660506" z3="2.79752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.21742" y3="-0.703315" z3="-1.510213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668483" y3="-1.042303" z3="-1.231991">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075119" y3="-1.798318" z3="-0.112148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653705" y3="-0.558387" z3="-2.101413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566361" y3="0.673359" z3="-1.207571">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089657" y3="-2.365809" z3="0.879189">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439362" y3="-2.04041" z3="0.105714">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007095" y3="-0.814708" z3="-1.885286">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405116" y3="-1.55959" z3="-0.775238">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472607" y3="-1.798118" z3="-1.821998">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389588" y3="-2.48503" z3="-0.750397">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852784" y3="-0.428414" z3="-0.58276">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741674" y3="-4.378025" z3="0.735516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200915" y3="-4.242943" z3="1.317881">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500453" y3="-4.042428" z3="-0.295674">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591742" y3="3.230204" z3="-0.1598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516519" y3="2.074329" z3="0.846909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977691" y3="3.204289" z3="-1.481091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645689" y3="1.615663" z3="-1.821971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333909" y3="2.821366" z3="-0.350754">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.15324" y3="2.608866" z3="1.411685">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560691" y3="-1.571022" z3="-1.401828">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121112" y3="-0.385222" z3="-2.554095">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350884" y3="0.027972" z3="-2.963762">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104676" y3="-1.905385" z3="0.835646">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458196" y3="-2.289674" z3="1.902756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748402" y3="-2.605494" z3="0.981435">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746969" y3="-0.428516" z3="-2.579418">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455869" y3="-1.757992" z3="-0.590944">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583245" y3="-2.285517" z3="-2.790456">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430706" y3="-1.89496" z3="-1.501901">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5005,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9638;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9028;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7905;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772422 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294711" y3="1.458133" z3="-1.568716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827998" y3="0.571877" z3="0.387031">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841719" y3="0.07631" z3="2.488531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302348" y3="2.103658" z3="3.661126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422238" y3="1.411825" z3="-0.343287">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232811" y3="1.145106" z3="2.967407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322085" y3="-3.735278" z3="-0.769334">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037103" y3="-1.724645" z3="0.008134">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225723" y3="1.731243" z3="1.135273">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391797" y3="0.375758" z3="-0.292064">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753779" y3="-0.383902" z3="-2.028608">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038142" y3="1.760549" z3="-1.81617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.86626" y3="-3.854764" z3="0.642222">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.3717" y3="0.057096" z3="-3.147624">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518639" y3="1.338817" z3="-3.011157">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496752" y3="2.146262" z3="-0.063651">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.7464" y3="1.387668" z3="0.490753">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779776" y3="0.900783" z3="1.604119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616955" y3="1.791524" z3="1.335832">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421157" y3="2.024167" z3="0.271463">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954215" y3="2.154411" z3="-1.16596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903934" y3="2.200064" z3="0.437048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708325" y3="0.465096" z3="-0.65649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094332" y3="1.660493" z3="2.797524">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217408" y3="-0.70335" z3="-1.51019">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668481" y3="-1.042317" z3="-1.231993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075148" y3="-1.798309" z3="-0.112147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653678" y3="-0.558407" z3="-2.101447">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566374" y3="0.67338" z3="-1.207583">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089713" y3="-2.36579" z3="0.879222">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439398" y3="-2.040384" z3="0.10569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007076" y3="-0.814711" z3="-1.885345">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405128" y3="-1.559569" z3="-0.775292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472633" y3="-1.798091" z3="-1.822036">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389611" y3="-2.485009" z3="-0.750436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852775" y3="-0.428444" z3="-0.582733">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.74174" y3="-4.378006" z3="0.735574">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200991" y3="-4.242922" z3="1.317963">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.5005" y3="-4.042434" z3="-0.295601">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591743" y3="3.230184" z3="-0.159787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516513" y3="2.074302" z3="0.846927">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977682" y3="3.204284" z3="-1.481083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645689" y3="1.615663" z3="-1.82197">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333908" y3="2.821371" z3="-0.350755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153246" y3="2.608862" z3="1.411685">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560691" y3="-1.571063" z3="-1.40178">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121074" y3="-0.385272" z3="-2.554075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350832" y3="0.027933" z3="-2.963799">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104728" y3="-1.905375" z3="0.835693">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458275" y3="-2.289636" z3="1.90278">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748462" y3="-2.605449" z3="0.981414">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.74693" y3="-0.428523" z3="-2.579499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455888" y3="-1.757957" z3="-0.591018">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.58328" y3="-2.28548" z3="-2.790498">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430731" y3="-1.894941" z3="-1.501946">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7034,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5827;5.7417,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6054,.9814;8.7469,-.4285,-2.5795;9.4559,-1.758,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772426 0.0391879 0.0375319</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.29471" y3="1.458147" z3="-1.568726">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827988" y3="0.571874" z3="0.387045">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841738" y3="0.076329" z3="2.488517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302332" y3="2.103674" z3="3.661119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422247" y3="1.411852" z3="-0.343299">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232795" y3="1.145116" z3="2.967408">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322056" y3="-3.735298" z3="-0.769284">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.03709" y3="-1.724661" z3="0.00816">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225714" y3="1.73126" z3="1.135263">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391806" y3="0.375785" z3="-0.292084">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.75376" y3="-0.383931" z3="-2.028586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038131" y3="1.760521" z3="-1.81617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.8662" y3="-3.854776" z3="0.64216">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.37168" y3="0.057054" z3="-3.147609">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518622" y3="1.338776" z3="-3.011155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496755" y3="2.146281" z3="-0.063663">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746407" y3="1.387692" z3="0.490737">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779789" y3="0.900803" z3="1.604105">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616945" y3="1.791535" z3="1.335827">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421153" y3="2.024174" z3="0.27146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954217" y3="2.154417" z3="-1.165965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.90393" y3="2.200065" z3="0.43705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708334" y3="0.465125" z3="-0.656507">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094318" y3="1.660506" z3="2.797521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.21742" y3="-0.703316" z3="-1.510212">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668483" y3="-1.042304" z3="-1.231991">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.07512" y3="-1.798318" z3="-0.112148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653705" y3="-0.558388" z3="-2.101414">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566361" y3="0.67336" z3="-1.207572">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089659" y3="-2.365808" z3="0.87919">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439363" y3="-2.040409" z3="0.105714">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007095" y3="-0.814709" z3="-1.885288">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405116" y3="-1.559589" z3="-0.775239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472608" y3="-1.798116" z3="-1.8220">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389589" y3="-2.485029" z3="-0.750399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852784" y3="-0.428415" z3="-0.582759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741676" y3="-4.378025" z3="0.735518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200917" y3="-4.242942" z3="1.317884">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500454" y3="-4.042428" z3="-0.295672">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591741" y3="3.230203" z3="-0.1598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516519" y3="2.074328" z3="0.846909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977691" y3="3.204288" z3="-1.481091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645689" y3="1.615662" z3="-1.82197">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333909" y3="2.821366" z3="-0.350754">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.15324" y3="2.608866" z3="1.411686">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560691" y3="-1.571023" z3="-1.401826">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121111" y3="-0.385224" z3="-2.554095">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350883" y3="0.02797" z3="-2.963763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104678" y3="-1.905385" z3="0.835648">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458199" y3="-2.289673" z3="1.902757">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748404" y3="-2.605492" z3="0.981435">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746968" y3="-0.428516" z3="-2.57942">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.45587" y3="-1.757991" z3="-0.590947">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583247" y3="-2.285515" z3="-2.790458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430707" y3="-1.894959" z3="-1.501903">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5005,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9638;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9028;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7905;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772422 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294714" y3="1.458124" z3="-1.568713">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.828003" y3="0.571876" z3="0.387026">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841715" y3="0.076303" z3="2.488537">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302352" y3="2.103652" z3="3.661129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422234" y3="1.411813" z3="-0.343285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232815" y3="1.1451" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322103" y3="-3.735269" z3="-0.769363">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037107" y3="-1.724637" z3="0.008124">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225726" y3="1.731235" z3="1.135276">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391793" y3="0.375747" z3="-0.292058">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753789" y3="-0.383888" z3="-2.028618">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038147" y3="1.760563" z3="-1.816167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866287" y3="-3.854757" z3="0.642251">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371711" y3="0.057118" z3="-3.147631">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518646" y3="1.338839" z3="-3.011156">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.49675" y3="2.146252" z3="-0.063647">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746397" y3="1.387658" z3="0.490758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779772" y3="0.900776" z3="1.604124">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616958" y3="1.791517" z3="1.335835">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.42116" y3="2.024162" z3="0.271466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954217" y3="2.154405" z3="-1.165957">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903936" y3="2.200062" z3="0.43705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708321" y3="0.465084" z3="-0.656484">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094336" y3="1.660487" z3="2.797527">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217403" y3="-0.703365" z3="-1.510181">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.66848" y3="-1.042323" z3="-1.231995">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075161" y3="-1.798304" z3="-0.112145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653668" y3="-0.558416" z3="-2.101461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566381" y3="0.67339" z3="-1.207587">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089738" y3="-2.365781" z3="0.879237">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439414" y3="-2.040371" z3="0.105681">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007069" y3="-0.814713" z3="-1.885369">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405134" y3="-1.55956" z3="-0.775314">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472647" y3="-1.798078" z3="-1.822055">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389623" y3="-2.4850" z3="-0.750455">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852772" y3="-0.428457" z3="-0.582723">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741769" y3="-4.377996" z3="0.735603">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.201023" y3="-4.24291" z3="1.318001">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.50052" y3="-4.042437" z3="-0.295567">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591742" y3="3.230175" z3="-0.159783">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.51651" y3="2.074292" z3="0.846931">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977681" y3="3.204278" z3="-1.48108">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.615658" z3="-1.821967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333908" y3="2.821372" z3="-0.350751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153248" y3="2.608856" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560692" y3="-1.571081" z3="-1.401761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121059" y3="-0.385294" z3="-2.554067">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350812" y3="0.027914" z3="-2.963816">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.10475" y3="-1.90537" z3="0.835712">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458308" y3="-2.289616" z3="1.902791">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748489" y3="-2.605427" z3="0.981407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746915" y3="-0.428529" z3="-2.579534">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455896" y3="-1.757942" z3="-0.591047">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583299" y3="-2.285462" z3="-2.790519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430744" y3="-1.894933" z3="-1.50197">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3024,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7694;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3757,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7606,-1.8162;4.8663,-3.8548,.6423;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0636;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7034,-1.5102;5.6685,-1.0423,-1.232;6.0752,-1.7983,-.1121;6.6537,-.5584,-2.1015;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8854;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.8221;-6.3896,-2.485,-.7505;1.8528,-.4285,-.5827;5.7418,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1048,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6054,.9814;8.7469,-.4285,-2.5795;9.4559,-1.7579,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.502;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772429 0.0391878 0.0375318</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294712" y3="1.458147" z3="-1.568728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827987" y3="0.571872" z3="0.387047">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841742" y3="0.076333" z3="2.488515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302328" y3="2.103678" z3="3.661118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422247" y3="1.411856" z3="-0.343304">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.23279" y3="1.145116" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322055" y3="-3.7353" z3="-0.769283">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037087" y3="-1.724663" z3="0.008162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225712" y3="1.731261" z3="1.135261">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391807" y3="0.375788" z3="-0.292088">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753759" y3="-0.383933" z3="-2.028585">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.03813" y3="1.76052" z3="-1.816169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866194" y3="-3.854777" z3="0.642155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371678" y3="0.057052" z3="-3.147607">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518621" y3="1.338774" z3="-3.011153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496755" y3="2.146282" z3="-0.063666">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746408" y3="1.387694" z3="0.490733">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779792" y3="0.900806" z3="1.604103">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616944" y3="1.791536" z3="1.335827">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421152" y3="2.024173" z3="0.271461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154415" z3="-1.165965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903929" y3="2.200064" z3="0.437052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708335" y3="0.465128" z3="-0.656511">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094314" y3="1.660508" z3="2.797521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217421" y3="-0.703314" z3="-1.510215">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668484" y3="-1.042302" z3="-1.23199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075117" y3="-1.798319" z3="-0.112147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653708" y3="-0.558386" z3="-2.101411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.56636" y3="0.673358" z3="-1.20757">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089653" y3="-2.36581" z3="0.879187">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439359" y3="-2.040411" z3="0.105717">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007097" y3="-0.814708" z3="-1.885281">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405115" y3="-1.559591" z3="-0.775233">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472607" y3="-1.798118" z3="-1.821998">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389587" y3="-2.485031" z3="-0.750397">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852785" y3="-0.428413" z3="-0.582762">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741669" y3="-4.378026" z3="0.735513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.20091" y3="-4.242944" z3="1.317876">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.50045" y3="-4.042427" z3="-0.295678">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.59174" y3="3.230205" z3="-0.159804">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.51652" y3="2.074332" z3="0.846904">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977694" y3="3.204286" z3="-1.481092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.615659" z3="-1.821969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.33391" y3="2.821366" z3="-0.350751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153239" y3="2.608863" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560692" y3="-1.57102" z3="-1.401831">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121115" y3="-0.385221" z3="-2.554098">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350888" y3="0.027973" z3="-2.96376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104673" y3="-1.905385" z3="0.835643">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458191" y3="-2.289676" z3="1.902755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748397" y3="-2.605495" z3="0.981439">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746972" y3="-0.428515" z3="-2.579411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455868" y3="-1.757993" z3="-0.590937">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583245" y3="-2.285517" z3="-2.790456">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430706" y3="-1.89496" z3="-1.501901">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5004,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9638;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9028;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7905;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772421 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294714" y3="1.458128" z3="-1.568716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.8280" y3="0.571875" z3="0.387031">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841721" y3="0.076312" z3="2.488533">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302347" y3="2.10366" z3="3.661127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422236" y3="1.411822" z3="-0.343291">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232809" y3="1.145105" z3="2.967411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.32209" y3="-3.735276" z3="-0.769346">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037103" y3="-1.724644" z3="0.008131">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225723" y3="1.731241" z3="1.135272">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391796" y3="0.375755" z3="-0.292064">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753783" y3="-0.383897" z3="-2.028611">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038145" y3="1.760554" z3="-1.816166">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866268" y3="-3.854763" z3="0.64223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371704" y3="0.057105" z3="-3.147626">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518642" y3="1.338826" z3="-3.011155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496751" y3="2.146259" z3="-0.063652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746399" y3="1.387666" z3="0.490752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779776" y3="0.900783" z3="1.604119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616955" y3="1.791522" z3="1.335833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421158" y3="2.024164" z3="0.271465">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954217" y3="2.154407" z3="-1.165959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903935" y3="2.200062" z3="0.43705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708323" y3="0.465092" z3="-0.656491">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094331" y3="1.660494" z3="2.797526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217406" y3="-0.703356" z3="-1.510187">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668481" y3="-1.042319" z3="-1.231993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075152" y3="-1.798308" z3="-0.112145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653676" y3="-0.558409" z3="-2.10145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566377" y3="0.673383" z3="-1.207583">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.08972" y3="-2.365789" z3="0.879227">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439403" y3="-2.040379" z3="0.105689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007074" y3="-0.81471" z3="-1.88535">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.40513" y3="-1.559565" z3="-0.775296">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472637" y3="-1.798086" z3="-1.822043">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389614" y3="-2.485007" z3="-0.750444">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852774" y3="-0.428449" z3="-0.582729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741749" y3="-4.378004" z3="0.735582">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.2010" y3="-4.24292" z3="1.317973">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500506" y3="-4.042436" z3="-0.295592">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591741" y3="3.230181" z3="-0.159789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516512" y3="2.074301" z3="0.846925">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977684" y3="3.204279" z3="-1.481083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.615658" z3="-1.821967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333908" y3="2.821371" z3="-0.350751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153246" y3="2.608858" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560691" y3="-1.571069" z3="-1.401773">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.12107" y3="-0.385282" z3="-2.554073">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350827" y3="0.027928" z3="-2.963803">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104734" y3="-1.905375" z3="0.835699">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458284" y3="-2.289632" z3="1.902783">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.74847" y3="-2.605442" z3="0.981414">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746926" y3="-0.428523" z3="-2.579507">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.45589" y3="-1.75795" z3="-0.591023">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583286" y3="-2.285473" z3="-2.790506">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430734" y3="-1.894938" z3="-1.501955">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7606,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7034,-1.5102;5.6685,-1.0423,-1.232;6.0752,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8854;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5827;5.7417,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6054,.9814;8.7469,-.4285,-2.5795;9.4559,-1.7579,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.502;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772427 0.0391879 0.0375318</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294711" y3="1.458146" z3="-1.568727">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827987" y3="0.571872" z3="0.387047">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841742" y3="0.076333" z3="2.488516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302328" y3="2.103678" z3="3.661118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422247" y3="1.411855" z3="-0.343304">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.23279" y3="1.145116" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322056" y3="-3.7353" z3="-0.769284">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037088" y3="-1.724663" z3="0.008162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225713" y3="1.731261" z3="1.135261">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391807" y3="0.375787" z3="-0.292087">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.75376" y3="-0.383932" z3="-2.028585">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038131" y3="1.76052" z3="-1.816168">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866195" y3="-3.854776" z3="0.642156">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.37168" y3="0.057053" z3="-3.147607">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518622" y3="1.338775" z3="-3.011153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496755" y3="2.146281" z3="-0.063666">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746408" y3="1.387694" z3="0.490733">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779792" y3="0.900806" z3="1.604103">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616944" y3="1.791536" z3="1.335827">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421152" y3="2.024173" z3="0.271461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154414" z3="-1.165965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903929" y3="2.200064" z3="0.437052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708335" y3="0.465127" z3="-0.656511">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094314" y3="1.660508" z3="2.797521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217421" y3="-0.703315" z3="-1.510214">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668484" y3="-1.042303" z3="-1.23199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075118" y3="-1.798318" z3="-0.112147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653707" y3="-0.558386" z3="-2.101411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566361" y3="0.673359" z3="-1.20757">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089654" y3="-2.365809" z3="0.879188">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.43936" y3="-2.04041" z3="0.105717">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007097" y3="-0.814708" z3="-1.885282">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405115" y3="-1.55959" z3="-0.775233">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472608" y3="-1.798117" z3="-1.821999">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389588" y3="-2.485031" z3="-0.750398">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852785" y3="-0.428413" z3="-0.582761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.74167" y3="-4.378026" z3="0.735514">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200911" y3="-4.242943" z3="1.317878">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500451" y3="-4.042427" z3="-0.295677">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.59174" y3="3.230204" z3="-0.159804">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.51652" y3="2.074332" z3="0.846904">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977694" y3="3.204286" z3="-1.481092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.615659" z3="-1.821969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.33391" y3="2.821365" z3="-0.350751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153238" y3="2.608863" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560692" y3="-1.571021" z3="-1.40183">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121114" y3="-0.385222" z3="-2.554098">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350887" y3="0.027972" z3="-2.96376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104674" y3="-1.905385" z3="0.835644">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458193" y3="-2.289676" z3="1.902756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748399" y3="-2.605494" z3="0.981439">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746972" y3="-0.428515" z3="-2.579413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455869" y3="-1.757992" z3="-0.590938">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583246" y3="-2.285516" z3="-2.790457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430707" y3="-1.89496" z3="-1.501902">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5005,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9638;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9028;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7905;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772422 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294713" y3="1.45813" z3="-1.568717">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827999" y3="0.571875" z3="0.387032">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841721" y3="0.076313" z3="2.488532">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302346" y3="2.103661" z3="3.661126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422237" y3="1.411824" z3="-0.343291">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232808" y3="1.145106" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322086" y3="-3.735277" z3="-0.76934">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037102" y3="-1.724645" z3="0.008133">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225722" y3="1.731243" z3="1.135272">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391796" y3="0.375757" z3="-0.292065">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.75378" y3="-0.3839" z3="-2.028609">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038144" y3="1.760551" z3="-1.816167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866262" y3="-3.854764" z3="0.642224">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371702" y3="0.0571" z3="-3.147624">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.51864" y3="1.338821" z3="-3.011155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496751" y3="2.146261" z3="-0.063653">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.7464" y3="1.387668" z3="0.490751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779777" y3="0.900785" z3="1.604118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616954" y3="1.791523" z3="1.335833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421158" y3="2.024165" z3="0.271464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954217" y3="2.154408" z3="-1.16596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903934" y3="2.200063" z3="0.43705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708324" y3="0.465095" z3="-0.656492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.09433" y3="1.660495" z3="2.797526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217407" y3="-0.703353" z3="-1.510189">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668481" y3="-1.042318" z3="-1.231993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075149" y3="-1.798309" z3="-0.112146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653678" y3="-0.558407" z3="-2.101447">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566376" y3="0.673381" z3="-1.207582">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089715" y3="-2.365791" z3="0.879224">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439399" y3="-2.040382" z3="0.10569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007075" y3="-0.81471" z3="-1.885345">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405128" y3="-1.559567" z3="-0.775292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472635" y3="-1.798089" z3="-1.822039">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389611" y3="-2.485009" z3="-0.75044">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852775" y3="-0.428446" z3="-0.582731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741743" y3="-4.378006" z3="0.735576">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200993" y3="-4.242922" z3="1.317966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500502" y3="-4.042435" z3="-0.295599">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591741" y3="3.230183" z3="-0.15979">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516513" y3="2.074303" z3="0.846924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977684" y3="3.20428" z3="-1.481084">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.615659" z3="-1.821968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333908" y3="2.821371" z3="-0.350751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153246" y3="2.608859" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560691" y3="-1.571066" z3="-1.401777">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121073" y3="-0.385277" z3="-2.554075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350831" y3="0.027931" z3="-2.9638">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104729" y3="-1.905376" z3="0.835695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458277" y3="-2.289635" z3="1.902781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748465" y3="-2.605446" z3="0.981415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746929" y3="-0.428522" z3="-2.5795">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455889" y3="-1.757953" z3="-0.591017">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583282" y3="-2.285477" z3="-2.790502">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430732" y3="-1.894939" z3="-1.50195">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7606,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7034,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5827;5.7417,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6054,.9814;8.7469,-.4285,-2.5795;9.4559,-1.758,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772426 0.0391879 0.0375319</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294712" y3="1.458144" z3="-1.568727">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827988" y3="0.571872" z3="0.387045">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.84174" y3="0.076331" z3="2.488517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.30233" y3="2.103676" z3="3.661119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422246" y3="1.411852" z3="-0.343303">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232791" y3="1.145115" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322059" y3="-3.735297" z3="-0.769289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.03709" y3="-1.724661" z3="0.008159">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225713" y3="1.731259" z3="1.135262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391806" y3="0.375784" z3="-0.292085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753762" y3="-0.383929" z3="-2.028587">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038132" y3="1.760523" z3="-1.816168">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866202" y3="-3.854776" z3="0.642161">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371682" y3="0.057058" z3="-3.147609">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518624" y3="1.33878" z3="-3.011153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496754" y3="2.146279" z3="-0.063665">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746407" y3="1.387691" z3="0.490735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.77979" y3="0.900804" z3="1.604104">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616945" y3="1.791535" z3="1.335827">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421153" y3="2.024172" z3="0.271461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154413" z3="-1.165965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.90393" y3="2.200064" z3="0.437051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708334" y3="0.465124" z3="-0.656509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094315" y3="1.660507" z3="2.797522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.21742" y3="-0.703318" z3="-1.510212">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668484" y3="-1.042304" z3="-1.23199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075121" y3="-1.798318" z3="-0.112147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653705" y3="-0.558388" z3="-2.101414">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566362" y3="0.673361" z3="-1.207571">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.08966" y3="-2.365808" z3="0.879191">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439364" y3="-2.040408" z3="0.105715">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007095" y3="-0.814708" z3="-1.885287">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405117" y3="-1.559588" z3="-0.775238">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472611" y3="-1.798115" z3="-1.822002">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389591" y3="-2.485029" z3="-0.750401">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852784" y3="-0.428416" z3="-0.582759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741677" y3="-4.378024" z3="0.735519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200919" y3="-4.242942" z3="1.317885">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500456" y3="-4.042428" z3="-0.295671">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.59174" y3="3.230202" z3="-0.159803">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516519" y3="2.074329" z3="0.846906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977693" y3="3.204285" z3="-1.481091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.615659" z3="-1.821969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.33391" y3="2.821366" z3="-0.350751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153239" y3="2.608863" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560692" y3="-1.571025" z3="-1.401825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121111" y3="-0.385227" z3="-2.554095">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350882" y3="0.027969" z3="-2.963763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104679" y3="-1.905384" z3="0.835649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.4582" y3="-2.289673" z3="1.902758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748405" y3="-2.60549" z3="0.981437">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746968" y3="-0.428515" z3="-2.57942">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455871" y3="-1.757988" z3="-0.590945">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.58325" y3="-2.285513" z3="-2.790461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430709" y3="-1.894958" z3="-1.501906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5005,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9638;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9028;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7905;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772422 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294713" y3="1.458131" z3="-1.568717">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827999" y3="0.571876" z3="0.387032">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841722" y3="0.076314" z3="2.488532">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302346" y3="2.103662" z3="3.661126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422238" y3="1.411826" z3="-0.343291">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232808" y3="1.145107" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322085" y3="-3.735279" z3="-0.769336">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037102" y3="-1.724645" z3="0.008134">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225722" y3="1.731244" z3="1.135272">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391797" y3="0.375759" z3="-0.292066">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753779" y3="-0.383902" z3="-2.028608">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038142" y3="1.760549" z3="-1.816168">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866259" y3="-3.854765" z3="0.64222">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.3717" y3="0.057097" z3="-3.147624">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518638" y3="1.338818" z3="-3.011156">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496751" y3="2.146262" z3="-0.063653">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.7464" y3="1.387669" z3="0.490751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779777" y3="0.900786" z3="1.604118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616954" y3="1.791524" z3="1.335833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421158" y3="2.024166" z3="0.271464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954217" y3="2.154408" z3="-1.16596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903934" y3="2.200063" z3="0.43705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708325" y3="0.465097" z3="-0.656492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.09433" y3="1.660496" z3="2.797525">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217408" y3="-0.70335" z3="-1.51019">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.66848" y3="-1.042317" z3="-1.231993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075147" y3="-1.79831" z3="-0.112146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653679" y3="-0.558406" z3="-2.101445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566374" y3="0.67338" z3="-1.207582">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089712" y3="-2.365792" z3="0.879222">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439397" y3="-2.040384" z3="0.105691">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007076" y3="-0.81471" z3="-1.885342">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405128" y3="-1.559568" z3="-0.775289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472633" y3="-1.798091" z3="-1.822036">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.38961" y3="-2.48501" z3="-0.750437">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852775" y3="-0.428444" z3="-0.582733">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741739" y3="-4.378007" z3="0.735572">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200989" y3="-4.242924" z3="1.317961">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500499" y3="-4.042435" z3="-0.295603">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591742" y3="3.230184" z3="-0.15979">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516513" y3="2.074305" z3="0.846924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977685" y3="3.204281" z3="-1.481084">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.615659" z3="-1.821968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333908" y3="2.82137" z3="-0.350752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153246" y3="2.60886" z3="1.411687">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560691" y3="-1.571063" z3="-1.40178">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121074" y3="-0.385274" z3="-2.554076">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350833" y3="0.027934" z3="-2.963797">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104726" y3="-1.905377" z3="0.835692">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458273" y3="-2.289638" z3="1.90278">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748461" y3="-2.605449" z3="0.981416">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746931" y3="-0.428522" z3="-2.579496">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455887" y3="-1.757956" z3="-0.591014">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.58328" y3="-2.28548" z3="-2.790499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.43073" y3="-1.894941" z3="-1.501947">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7034,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5827;5.7417,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6054,.9814;8.7469,-.4285,-2.5795;9.4559,-1.758,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772426 0.0391879 0.0375319</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.29471" y3="1.45815" z3="-1.568729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827985" y3="0.571874" z3="0.387049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841742" y3="0.076333" z3="2.488513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302328" y3="2.103678" z3="3.661117">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422248" y3="1.411859" z3="-0.343304">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232791" y3="1.145119" z3="2.967407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322049" y3="-3.735303" z3="-0.76927">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037087" y3="-1.724665" z3="0.008168">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225712" y3="1.731263" z3="1.13526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391808" y3="0.37579" z3="-0.292089">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753756" y3="-0.383938" z3="-2.028581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038129" y3="1.760515" z3="-1.81617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866186" y3="-3.85478" z3="0.642144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371676" y3="0.057044" z3="-3.147604">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.51862" y3="1.338766" z3="-3.011154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496756" y3="2.146285" z3="-0.063667">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746409" y3="1.387696" z3="0.490732">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779792" y3="0.900807" z3="1.604101">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616943" y3="1.791539" z3="1.335825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421151" y3="2.024176" z3="0.271459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954217" y3="2.154418" z3="-1.165967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903928" y3="2.200066" z3="0.437049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708336" y3="0.465131" z3="-0.656513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094314" y3="1.66051" z3="2.797519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217423" y3="-0.70331" z3="-1.510217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668484" y3="-1.042301" z3="-1.231989">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075113" y3="-1.798321" z3="-0.112148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653711" y3="-0.558381" z3="-2.101405">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566358" y3="0.673356" z3="-1.207569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089646" y3="-2.365814" z3="0.879182">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439355" y3="-2.040415" z3="0.10572">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007099" y3="-0.814705" z3="-1.885272">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405114" y3="-1.559592" z3="-0.775225">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472603" y3="-1.798122" z3="-1.82199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389584" y3="-2.485034" z3="-0.750388">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852786" y3="-0.42841" z3="-0.582765">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.74166" y3="-4.378031" z3="0.735502">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200899" y3="-4.242949" z3="1.317862">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500444" y3="-4.042426" z3="-0.295691">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591742" y3="3.230207" z3="-0.159804">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516521" y3="2.074334" z3="0.846904">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977692" y3="3.20429" z3="-1.481093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645689" y3="1.615663" z3="-1.821971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333909" y3="2.821366" z3="-0.350755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153238" y3="2.608868" z3="1.411685">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560692" y3="-1.571015" z3="-1.401837">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121119" y3="-0.385215" z3="-2.5541">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350895" y3="0.027981" z3="-2.963753">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104667" y3="-1.905388" z3="0.835637">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458181" y3="-2.289685" z3="1.902751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.74839" y3="-2.605503" z3="0.98144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746977" y3="-0.42851" z3="-2.579398">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455866" y3="-1.757996" z3="-0.590927">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583239" y3="-2.285524" z3="-2.790447">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430702" y3="-1.894962" z3="-1.501892">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4582,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.322,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6421;-6.3717,.057,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0896,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5004,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9638;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9028;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7904;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772421 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294711" y3="1.458132" z3="-1.568716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827999" y3="0.571877" z3="0.387031">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841718" y3="0.076311" z3="2.488533">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.30235" y3="2.103659" z3="3.661126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422237" y3="1.411823" z3="-0.343286">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232812" y3="1.145107" z3="2.967407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322084" y3="-3.735278" z3="-0.769335">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037103" y3="-1.724644" z3="0.008133">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225723" y3="1.731244" z3="1.135273">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391796" y3="0.375758" z3="-0.292063">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753779" y3="-0.383902" z3="-2.028609">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038142" y3="1.760549" z3="-1.81617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866263" y3="-3.854765" z3="0.642223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.3717" y3="0.057097" z3="-3.147625">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518638" y3="1.338818" z3="-3.011158">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496752" y3="2.146262" z3="-0.06365">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746399" y3="1.387668" z3="0.490754">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779775" y3="0.900784" z3="1.60412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616955" y3="1.791524" z3="1.335832">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421158" y3="2.024167" z3="0.271463">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954215" y3="2.154411" z3="-1.16596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903935" y3="2.200065" z3="0.437048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708324" y3="0.465095" z3="-0.656489">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094334" y3="1.660494" z3="2.797524">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217406" y3="-0.703351" z3="-1.510188">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.66848" y3="-1.042318" z3="-1.231993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075149" y3="-1.79831" z3="-0.112147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653676" y3="-0.558407" z3="-2.101447">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566375" y3="0.673381" z3="-1.207584">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089716" y3="-2.365791" z3="0.879223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439399" y3="-2.040384" z3="0.105688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007074" y3="-0.81471" z3="-1.885347">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405128" y3="-1.559568" z3="-0.775295">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472633" y3="-1.79809" z3="-1.822037">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.38961" y3="-2.485009" z3="-0.750437">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852774" y3="-0.428445" z3="-0.582731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741743" y3="-4.378007" z3="0.735575">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200994" y3="-4.242923" z3="1.317965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500502" y3="-4.042436" z3="-0.295599">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591743" y3="3.230184" z3="-0.159786">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516512" y3="2.074302" z3="0.846928">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977682" y3="3.204284" z3="-1.481083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645689" y3="1.615663" z3="-1.82197">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333908" y3="2.821371" z3="-0.350755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153247" y3="2.608862" z3="1.411684">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.56069" y3="-1.571065" z3="-1.401777">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121071" y3="-0.385275" z3="-2.554073">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350829" y3="0.027933" z3="-2.963799">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.10473" y3="-1.905377" z3="0.835695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458278" y3="-2.289636" z3="1.90278">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748465" y3="-2.605449" z3="0.981412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746927" y3="-0.428522" z3="-2.579502">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455888" y3="-1.757955" z3="-0.591022">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.58328" y3="-2.28548" z3="-2.790499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.43073" y3="-1.89494" z3="-1.501947">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0636;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7034,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5827;5.7417,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6054,.9814;8.7469,-.4285,-2.5795;9.4559,-1.758,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772426 0.0391879 0.0375319</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.29471" y3="1.458146" z3="-1.568726">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827988" y3="0.571874" z3="0.387045">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841737" y3="0.076327" z3="2.488516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302332" y3="2.103672" z3="3.661119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422247" y3="1.411852" z3="-0.343299">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232795" y3="1.145115" z3="2.967407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322059" y3="-3.735297" z3="-0.769284">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037091" y3="-1.72466" z3="0.008161">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225714" y3="1.731259" z3="1.135262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391806" y3="0.375784" z3="-0.292084">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753761" y3="-0.383931" z3="-2.028586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038131" y3="1.760522" z3="-1.81617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866201" y3="-3.854775" z3="0.642161">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371681" y3="0.057055" z3="-3.147608">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518623" y3="1.338777" z3="-3.011155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496755" y3="2.14628" z3="-0.063663">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746407" y3="1.38769" z3="0.490736">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779789" y3="0.900801" z3="1.604105">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616945" y3="1.791535" z3="1.335827">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421153" y3="2.024173" z3="0.27146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954216" y3="2.154416" z3="-1.165965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.90393" y3="2.200065" z3="0.437049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708335" y3="0.465124" z3="-0.656508">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094318" y3="1.660505" z3="2.79752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.21742" y3="-0.703317" z3="-1.510212">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668484" y3="-1.042304" z3="-1.231991">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075121" y3="-1.798318" z3="-0.112147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653705" y3="-0.558387" z3="-2.101415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566362" y3="0.673361" z3="-1.207572">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.08966" y3="-2.365808" z3="0.879191">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439364" y3="-2.040408" z3="0.105714">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007095" y3="-0.814708" z3="-1.885288">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405117" y3="-1.559588" z3="-0.775239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472611" y3="-1.798116" z3="-1.8220">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389591" y3="-2.485028" z3="-0.750398">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852784" y3="-0.428416" z3="-0.582759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741677" y3="-4.378024" z3="0.735518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200918" y3="-4.242941" z3="1.317885">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500455" y3="-4.042427" z3="-0.295671">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591742" y3="3.230202" z3="-0.1598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516519" y3="2.074327" z3="0.846909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.97769" y3="3.204288" z3="-1.481091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645689" y3="1.615662" z3="-1.821971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333909" y3="2.821366" z3="-0.350754">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153239" y3="2.608866" z3="1.411685">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560692" y3="-1.571024" z3="-1.401826">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121111" y3="-0.385225" z3="-2.554095">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350883" y3="0.02797" z3="-2.963764">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104679" y3="-1.905384" z3="0.835648">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.4582" y3="-2.289672" z3="1.902757">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748405" y3="-2.605491" z3="0.981435">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746968" y3="-0.428515" z3="-2.57942">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455871" y3="-1.757989" z3="-0.590946">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.58325" y3="-2.285515" z3="-2.790458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430709" y3="-1.894959" z3="-1.501903">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5005,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9638;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9028;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7905;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772422 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294711" y3="1.458134" z3="-1.568716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827998" y3="0.571877" z3="0.387032">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841719" y3="0.076312" z3="2.488531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302349" y3="2.10366" z3="3.661126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422238" y3="1.411825" z3="-0.343286">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232811" y3="1.145107" z3="2.967407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322082" y3="-3.735279" z3="-0.769331">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037102" y3="-1.724646" z3="0.008134">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225723" y3="1.731245" z3="1.135273">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391797" y3="0.37576" z3="-0.292064">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753777" y3="-0.383904" z3="-2.028607">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038141" y3="1.760547" z3="-1.816171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866259" y3="-3.854765" z3="0.642219">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371698" y3="0.057093" z3="-3.147625">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518637" y3="1.338815" z3="-3.011158">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496752" y3="2.146264" z3="-0.063651">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.7464" y3="1.387669" z3="0.490753">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779776" y3="0.900785" z3="1.604119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616955" y3="1.791525" z3="1.335832">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421157" y3="2.024168" z3="0.271463">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954216" y3="2.154411" z3="-1.16596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903934" y3="2.200065" z3="0.437048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708325" y3="0.465097" z3="-0.65649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094333" y3="1.660495" z3="2.797524">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217407" y3="-0.703349" z3="-1.510189">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.66848" y3="-1.042317" z3="-1.231993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075147" y3="-1.79831" z3="-0.112147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653678" y3="-0.558406" z3="-2.101445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566374" y3="0.673379" z3="-1.207583">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089712" y3="-2.365792" z3="0.879221">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439397" y3="-2.040385" z3="0.10569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007075" y3="-0.814711" z3="-1.885343">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405127" y3="-1.55957" z3="-0.775291">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472631" y3="-1.798092" z3="-1.822034">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389609" y3="-2.48501" z3="-0.750434">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852775" y3="-0.428443" z3="-0.582733">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741739" y3="-4.378008" z3="0.735571">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200989" y3="-4.242924" z3="1.31796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500499" y3="-4.042436" z3="-0.295604">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591743" y3="3.230186" z3="-0.159787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516513" y3="2.074304" z3="0.846927">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977682" y3="3.204284" z3="-1.481083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645689" y3="1.615663" z3="-1.82197">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333908" y3="2.821371" z3="-0.350755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153247" y3="2.608863" z3="1.411684">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.56069" y3="-1.571061" z3="-1.401781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121074" y3="-0.38527" z3="-2.554075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350833" y3="0.027935" z3="-2.963797">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104726" y3="-1.905377" z3="0.835691">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458272" y3="-2.289638" z3="1.902779">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748461" y3="-2.605451" z3="0.981413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.74693" y3="-0.428523" z3="-2.579497">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455887" y3="-1.757959" z3="-0.591017">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583277" y3="-2.285482" z3="-2.790496">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430728" y3="-1.894942" z3="-1.501944">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5827;5.7417,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6055,.9814;8.7469,-.4285,-2.5795;9.4559,-1.758,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772426 0.0391879 0.0375319</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.29471" y3="1.458145" z3="-1.568726">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827989" y3="0.571874" z3="0.387044">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841736" y3="0.076326" z3="2.488517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302333" y3="2.103672" z3="3.66112">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422246" y3="1.41185" z3="-0.343299">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232796" y3="1.145115" z3="2.967408">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322062" y3="-3.735296" z3="-0.769289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037092" y3="-1.724659" z3="0.008158">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225714" y3="1.731257" z3="1.135263">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391806" y3="0.375782" z3="-0.292083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753763" y3="-0.383928" z3="-2.028588">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038132" y3="1.760524" z3="-1.81617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866206" y3="-3.854774" z3="0.642166">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371683" y3="0.057058" z3="-3.14761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518624" y3="1.338781" z3="-3.011154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496755" y3="2.146278" z3="-0.063663">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746407" y3="1.387689" z3="0.490737">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779788" y3="0.9008" z3="1.604106">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616946" y3="1.791534" z3="1.335827">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421153" y3="2.024173" z3="0.27146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954217" y3="2.154415" z3="-1.165965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.90393" y3="2.200065" z3="0.43705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708334" y3="0.465122" z3="-0.656507">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094318" y3="1.660504" z3="2.797521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217419" y3="-0.703319" z3="-1.510211">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668484" y3="-1.042305" z3="-1.231991">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075123" y3="-1.798317" z3="-0.112147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653703" y3="-0.558389" z3="-2.101417">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566363" y3="0.673362" z3="-1.207572">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089664" y3="-2.365806" z3="0.879193">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439366" y3="-2.040406" z3="0.105712">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007094" y3="-0.814708" z3="-1.885292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405118" y3="-1.559587" z3="-0.775243">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472613" y3="-1.798114" z3="-1.822003">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389593" y3="-2.485027" z3="-0.750402">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852784" y3="-0.428418" z3="-0.582758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741682" y3="-4.378022" z3="0.735523">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200924" y3="-4.24294" z3="1.317891">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500459" y3="-4.042428" z3="-0.295666">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591742" y3="3.230201" z3="-0.159799">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516519" y3="2.074325" z3="0.84691">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.97769" y3="3.204287" z3="-1.48109">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645689" y3="1.615662" z3="-1.82197">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333909" y3="2.821367" z3="-0.350754">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.15324" y3="2.608865" z3="1.411686">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560692" y3="-1.571027" z3="-1.401823">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121109" y3="-0.385228" z3="-2.554094">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350879" y3="0.027967" z3="-2.963766">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104682" y3="-1.905383" z3="0.835652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458206" y3="-2.289669" z3="1.902759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748409" y3="-2.605487" z3="0.981434">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746966" y3="-0.428516" z3="-2.579426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455872" y3="-1.757987" z3="-0.590951">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583252" y3="-2.285512" z3="-2.790461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430711" y3="-1.894957" z3="-1.501907">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5005,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9638;4.1047,-1.9054,.8357;5.4582,-2.2897,1.9028;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772423 0.0391880 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294713" y3="1.458128" z3="-1.568714">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.828001" y3="0.571875" z3="0.387029">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841718" y3="0.07631" z3="2.488535">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.30235" y3="2.103658" z3="3.661128">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422236" y3="1.41182" z3="-0.343286">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232811" y3="1.145103" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.32209" y3="-3.735275" z3="-0.76935">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037103" y3="-1.724643" z3="0.008128">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225724" y3="1.731241" z3="1.135274">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391795" y3="0.375754" z3="-0.292061">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753782" y3="-0.383896" z3="-2.028613">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038145" y3="1.760555" z3="-1.816168">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866272" y3="-3.854761" z3="0.642236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371703" y3="0.057107" z3="-3.147628">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518641" y3="1.338828" z3="-3.011157">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.49675" y3="2.146259" z3="-0.063649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746398" y3="1.387665" z3="0.490755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779775" y3="0.900782" z3="1.604122">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616956" y3="1.791521" z3="1.335834">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421159" y3="2.024164" z3="0.271465">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954217" y3="2.154407" z3="-1.165958">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903936" y3="2.200062" z3="0.43705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708323" y3="0.465091" z3="-0.656487">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094333" y3="1.660492" z3="2.797527">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217405" y3="-0.703356" z3="-1.510185">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.66848" y3="-1.04232" z3="-1.231994">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075153" y3="-1.798307" z3="-0.112146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653673" y3="-0.558412" z3="-2.101454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566378" y3="0.673384" z3="-1.207585">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089724" y3="-2.365786" z3="0.879229">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439405" y3="-2.040378" z3="0.105685">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007071" y3="-0.814714" z3="-1.885357">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.40513" y3="-1.559566" z3="-0.775303">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472637" y3="-1.798085" z3="-1.822046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389614" y3="-2.485006" z3="-0.750447">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852773" y3="-0.428449" z3="-0.582728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741753" y3="-4.378001" z3="0.735588">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.201006" y3="-4.242917" z3="1.317982">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500509" y3="-4.042437" z3="-0.295584">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591741" y3="3.230181" z3="-0.159786">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516511" y3="2.0743" z3="0.846928">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977683" y3="3.20428" z3="-1.481081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.615659" z3="-1.821967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333909" y3="2.821371" z3="-0.350751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153248" y3="2.608857" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560691" y3="-1.571071" z3="-1.40177">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121066" y3="-0.385282" z3="-2.554071">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350822" y3="0.027923" z3="-2.963808">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104737" y3="-1.905373" z3="0.835702">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458289" y3="-2.289626" z3="1.902785">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748474" y3="-2.605439" z3="0.981411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746922" y3="-0.428528" z3="-2.579517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455891" y3="-1.757952" z3="-0.591032">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583286" y3="-2.285471" z3="-2.790509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430734" y3="-1.894937" z3="-1.501958">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7606,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0636;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7034,-1.5102;5.6685,-1.0423,-1.232;6.0752,-1.7983,-.1121;6.6537,-.5584,-2.1015;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8854;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5827;5.7418,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6054,.9814;8.7469,-.4285,-2.5795;9.4559,-1.758,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.502;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772426 0.0391879 0.0375318</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294712" y3="1.458144" z3="-1.568726">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827988" y3="0.571872" z3="0.387045">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841739" y3="0.076329" z3="2.488517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.30233" y3="2.103674" z3="3.661119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422246" y3="1.411852" z3="-0.343302">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232792" y3="1.145115" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322062" y3="-3.735297" z3="-0.76929">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037091" y3="-1.72466" z3="0.008159">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225714" y3="1.731258" z3="1.135262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391806" y3="0.375783" z3="-0.292085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753762" y3="-0.383929" z3="-2.028588">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038131" y3="1.760524" z3="-1.816168">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866203" y3="-3.854774" z3="0.642163">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371682" y3="0.057059" z3="-3.147609">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518624" y3="1.338781" z3="-3.011153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496754" y3="2.146278" z3="-0.063665">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746407" y3="1.38769" z3="0.490735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.77979" y3="0.900802" z3="1.604104">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616945" y3="1.791534" z3="1.335827">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421153" y3="2.024172" z3="0.271461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154413" z3="-1.165965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.90393" y3="2.200064" z3="0.437051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708334" y3="0.465124" z3="-0.656509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094316" y3="1.660506" z3="2.797522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.21742" y3="-0.703319" z3="-1.510212">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668484" y3="-1.042304" z3="-1.231991">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075121" y3="-1.798317" z3="-0.112147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653705" y3="-0.558389" z3="-2.101415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566362" y3="0.673362" z3="-1.207571">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089661" y3="-2.365806" z3="0.879192">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439365" y3="-2.040406" z3="0.105715">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007095" y3="-0.814708" z3="-1.885289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405117" y3="-1.559587" z3="-0.775239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472612" y3="-1.798114" z3="-1.822003">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389593" y3="-2.485028" z3="-0.750402">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852784" y3="-0.428418" z3="-0.582759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741679" y3="-4.378023" z3="0.735521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.20092" y3="-4.24294" z3="1.317887">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500457" y3="-4.042427" z3="-0.295668">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591741" y3="3.230201" z3="-0.159802">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516519" y3="2.074327" z3="0.846907">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977692" y3="3.204285" z3="-1.481091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.615659" z3="-1.821969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333909" y3="2.821366" z3="-0.350751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153239" y3="2.608863" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560692" y3="-1.571026" z3="-1.401825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.12111" y3="-0.385228" z3="-2.554096">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350882" y3="0.027967" z3="-2.963765">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.10468" y3="-1.905383" z3="0.83565">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458202" y3="-2.28967" z3="1.902759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748406" y3="-2.605488" z3="0.981437">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746968" y3="-0.428516" z3="-2.579422">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455872" y3="-1.757987" z3="-0.590946">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583251" y3="-2.285512" z3="-2.790462">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430711" y3="-1.894958" z3="-1.501907">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5005,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9638;4.1047,-1.9054,.8357;5.4582,-2.2897,1.9028;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5833,-2.2855,-2.7905;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772423 0.0391880 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294713" y3="1.458131" z3="-1.568717">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827999" y3="0.571875" z3="0.387033">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841723" y3="0.076316" z3="2.488531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302345" y3="2.103664" z3="3.661125">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422238" y3="1.411827" z3="-0.343291">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232807" y3="1.145107" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322081" y3="-3.73528" z3="-0.769335">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.0371" y3="-1.724647" z3="0.008134">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225722" y3="1.731245" z3="1.135271">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391797" y3="0.375761" z3="-0.292066">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753778" y3="-0.383903" z3="-2.028607">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038143" y3="1.760548" z3="-1.816168">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866257" y3="-3.854766" z3="0.642218">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371699" y3="0.057096" z3="-3.147624">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518638" y3="1.338817" z3="-3.011156">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496751" y3="2.146263" z3="-0.063653">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.7464" y3="1.387671" z3="0.49075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779778" y3="0.900788" z3="1.604118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616953" y3="1.791525" z3="1.335832">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421158" y3="2.024166" z3="0.271464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954217" y3="2.154409" z3="-1.16596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903934" y3="2.200063" z3="0.43705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708325" y3="0.465098" z3="-0.656492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094329" y3="1.660497" z3="2.797525">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217408" y3="-0.703349" z3="-1.51019">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.66848" y3="-1.042317" z3="-1.231992">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075146" y3="-1.79831" z3="-0.112146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653679" y3="-0.558406" z3="-2.101444">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566374" y3="0.673379" z3="-1.207582">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.08971" y3="-2.365793" z3="0.879221">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439396" y3="-2.040385" z3="0.105692">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007076" y3="-0.814711" z3="-1.88534">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405127" y3="-1.55957" z3="-0.775288">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472631" y3="-1.798091" z3="-1.822036">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389608" y3="-2.485011" z3="-0.750436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852776" y3="-0.428442" z3="-0.582733">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741737" y3="-4.378008" z3="0.735571">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200987" y3="-4.242925" z3="1.317958">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500498" y3="-4.042435" z3="-0.295605">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591741" y3="3.230186" z3="-0.159791">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516513" y3="2.074306" z3="0.846923">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977685" y3="3.204281" z3="-1.481084">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.615659" z3="-1.821968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333909" y3="2.82137" z3="-0.350751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153246" y3="2.608859" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560691" y3="-1.571061" z3="-1.401781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121075" y3="-0.385272" z3="-2.554076">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350835" y3="0.027935" z3="-2.963796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104724" y3="-1.905378" z3="0.83569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.45827" y3="-2.289639" z3="1.902779">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748459" y3="-2.605451" z3="0.981416">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746932" y3="-0.428523" z3="-2.579494">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455886" y3="-1.757958" z3="-0.591012">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583277" y3="-2.28548" z3="-2.790498">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430728" y3="-1.894941" z3="-1.501946">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5827;5.7417,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6055,.9814;8.7469,-.4285,-2.5795;9.4559,-1.758,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772425 0.0391879 0.0375319</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294709" y3="1.458147" z3="-1.568727">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827988" y3="0.571876" z3="0.387046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841737" y3="0.076327" z3="2.488515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302332" y3="2.103673" z3="3.661118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422246" y3="1.411853" z3="-0.3433">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232796" y3="1.145119" z3="2.967406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322059" y3="-3.735297" z3="-0.769276">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037092" y3="-1.724658" z3="0.008163">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225714" y3="1.73126" z3="1.135262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391806" y3="0.375784" z3="-0.292085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.75376" y3="-0.383933" z3="-2.028585">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038128" y3="1.76052" z3="-1.816173">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866199" y3="-3.854778" z3="0.642154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371679" y3="0.05705" z3="-3.147608">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.51862" y3="1.338773" z3="-3.011157">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496755" y3="2.146281" z3="-0.063664">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746407" y3="1.387691" z3="0.490736">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779788" y3="0.900802" z3="1.604104">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616945" y3="1.791536" z3="1.335826">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421152" y3="2.024175" z3="0.271459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954216" y3="2.154417" z3="-1.165966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903929" y3="2.200067" z3="0.437048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708334" y3="0.465125" z3="-0.656509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094318" y3="1.660507" z3="2.797519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217421" y3="-0.703316" z3="-1.510213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668484" y3="-1.042303" z3="-1.23199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075119" y3="-1.798319" z3="-0.112148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653706" y3="-0.558384" z3="-2.101411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.56636" y3="0.67336" z3="-1.207572">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089657" y3="-2.365811" z3="0.879188">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439362" y3="-2.04041" z3="0.105715">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007096" y3="-0.814704" z3="-1.885283">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405116" y3="-1.559587" z3="-0.775235">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472609" y3="-1.798118" z3="-1.821995">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389591" y3="-2.485029" z3="-0.750393">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852784" y3="-0.428416" z3="-0.58276">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741674" y3="-4.378027" z3="0.735511">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200915" y3="-4.242946" z3="1.317876">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500454" y3="-4.042428" z3="-0.295679">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591743" y3="3.230203" z3="-0.159801">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516519" y3="2.074327" z3="0.846909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.97769" y3="3.204289" z3="-1.481092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645689" y3="1.615663" z3="-1.821972">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333908" y3="2.821367" z3="-0.350757">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153239" y3="2.608869" z3="1.411683">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560692" y3="-1.571023" z3="-1.401828">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121113" y3="-0.385223" z3="-2.554096">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350885" y3="0.027976" z3="-2.963759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104676" y3="-1.905387" z3="0.835646">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458197" y3="-2.289679" z3="1.902755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748402" y3="-2.605494" z3="0.981436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.74697" y3="-0.428509" z3="-2.579413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.45587" y3="-1.757988" z3="-0.590941">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583247" y3="-2.285519" z3="-2.790452">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430709" y3="-1.89496" z3="-1.501897">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6422;-6.3717,.057,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5005,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9638;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9028;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7905;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772422 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294712" y3="1.458133" z3="-1.568717">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827998" y3="0.571876" z3="0.387033">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841721" y3="0.076315" z3="2.488531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302347" y3="2.103663" z3="3.661125">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422238" y3="1.411827" z3="-0.343289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232809" y3="1.145108" z3="2.967408">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322079" y3="-3.73528" z3="-0.769332">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.0371" y3="-1.724647" z3="0.008135">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225722" y3="1.731246" z3="1.135272">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391797" y3="0.375761" z3="-0.292065">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753777" y3="-0.383904" z3="-2.028607">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038143" y3="1.760547" z3="-1.816169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866256" y3="-3.854766" z3="0.642217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371698" y3="0.057093" z3="-3.147623">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518638" y3="1.338814" z3="-3.011157">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496752" y3="2.146264" z3="-0.063652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.7464" y3="1.387671" z3="0.490751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779777" y3="0.900787" z3="1.604118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616954" y3="1.791526" z3="1.335832">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421157" y3="2.024168" z3="0.271463">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954216" y3="2.154411" z3="-1.16596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903934" y3="2.200064" z3="0.437049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708325" y3="0.465098" z3="-0.656491">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094331" y3="1.660496" z3="2.797524">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217408" y3="-0.703348" z3="-1.51019">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.66848" y3="-1.042316" z3="-1.231992">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075146" y3="-1.798311" z3="-0.112147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653679" y3="-0.558405" z3="-2.101443">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566374" y3="0.673379" z3="-1.207582">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.08971" y3="-2.365794" z3="0.87922">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439395" y3="-2.040386" z3="0.105691">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007076" y3="-0.81471" z3="-1.88534">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405127" y3="-1.559571" z3="-0.775288">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472629" y3="-1.798092" z3="-1.822034">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389607" y3="-2.485011" z3="-0.750434">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852775" y3="-0.428442" z3="-0.582733">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741736" y3="-4.378009" z3="0.735569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200986" y3="-4.242926" z3="1.317957">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500497" y3="-4.042436" z3="-0.295607">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591742" y3="3.230187" z3="-0.159789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516513" y3="2.074306" z3="0.846925">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977684" y3="3.204283" z3="-1.481084">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645689" y3="1.615662" z3="-1.821969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333909" y3="2.82137" z3="-0.350754">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153246" y3="2.608862" z3="1.411685">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.56069" y3="-1.57106" z3="-1.401782">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121075" y3="-0.38527" z3="-2.554076">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350835" y3="0.027937" z3="-2.963795">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104724" y3="-1.905378" z3="0.83569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458269" y3="-2.289641" z3="1.902778">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748458" y3="-2.605453" z3="0.981415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746932" y3="-0.428522" z3="-2.579493">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455886" y3="-1.757959" z3="-0.591013">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583275" y3="-2.285482" z3="-2.790496">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430727" y3="-1.894941" z3="-1.501944">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5827;5.7417,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6055,.9814;8.7469,-.4285,-2.5795;9.4559,-1.758,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772425 0.0391879 0.0375319</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294711" y3="1.45815" z3="-1.568731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827984" y3="0.571873" z3="0.38705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841745" y3="0.076334" z3="2.488511">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302323" y3="2.103679" z3="3.661116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422249" y3="1.411862" z3="-0.343308">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232787" y3="1.145121" z3="2.967409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322052" y3="-3.735304" z3="-0.769267">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037088" y3="-1.724665" z3="0.00817">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.22571" y3="1.731264" z3="1.135258">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391809" y3="0.375792" z3="-0.292092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753756" y3="-0.38394" z3="-2.028578">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038127" y3="1.760513" z3="-1.816169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.86618" y3="-3.85478" z3="0.642137">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371676" y3="0.057042" z3="-3.147602">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518618" y3="1.338764" z3="-3.011153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496756" y3="2.146285" z3="-0.06367">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.74641" y3="1.387698" z3="0.490729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779794" y3="0.900808" z3="1.604099">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616941" y3="1.791539" z3="1.335824">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421151" y3="2.024175" z3="0.271459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154416" z3="-1.165967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903928" y3="2.200065" z3="0.437051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708337" y3="0.465133" z3="-0.656516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094311" y3="1.660511" z3="2.797519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217425" y3="-0.703307" z3="-1.51022">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668486" y3="-1.042299" z3="-1.231989">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075111" y3="-1.798321" z3="-0.112147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653715" y3="-0.558379" z3="-2.101401">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566357" y3="0.673354" z3="-1.207567">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089642" y3="-2.365815" z3="0.87918">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439352" y3="-2.040416" z3="0.105724">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007103" y3="-0.814703" z3="-1.885265">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405114" y3="-1.559592" z3="-0.775218">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472604" y3="-1.798124" z3="-1.821987">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389585" y3="-2.485035" z3="-0.750385">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852788" y3="-0.428408" z3="-0.582768">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741654" y3="-4.378032" z3="0.735496">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200892" y3="-4.24295" z3="1.317854">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.50044" y3="-4.042424" z3="-0.295698">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591741" y3="3.230207" z3="-0.159807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516521" y3="2.074336" z3="0.8469">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977694" y3="3.204288" z3="-1.481094">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.615661" z3="-1.821971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333909" y3="2.821365" z3="-0.350753">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153237" y3="2.608867" z3="1.411686">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560693" y3="-1.571012" z3="-1.401842">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121124" y3="-0.385212" z3="-2.554103">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350901" y3="0.027985" z3="-2.963749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104662" y3="-1.905388" z3="0.835633">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458175" y3="-2.289688" z3="1.90275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748385" y3="-2.605505" z3="0.981444">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746982" y3="-0.428507" z3="-2.579388">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455866" y3="-1.757996" z3="-0.590917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.58324" y3="-2.285526" z3="-2.790444">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430703" y3="-1.894964" z3="-1.501889">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4582,-1.5687;-4.828,.5719,.3871;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6421;-6.3717,.057,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0896,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.243,1.3179;4.5004,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9637;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9027;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7904;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772421 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294713" y3="1.458133" z3="-1.568717">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827998" y3="0.571875" z3="0.387033">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841723" y3="0.076316" z3="2.488531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302346" y3="2.103664" z3="3.661125">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422238" y3="1.411827" z3="-0.34329">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232807" y3="1.145107" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322077" y3="-3.735281" z3="-0.769332">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037099" y3="-1.724648" z3="0.008135">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225722" y3="1.731246" z3="1.135271">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391797" y3="0.375761" z3="-0.292066">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753777" y3="-0.383904" z3="-2.028607">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038143" y3="1.760547" z3="-1.816168">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866255" y3="-3.854766" z3="0.642217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371698" y3="0.057094" z3="-3.147623">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518638" y3="1.338815" z3="-3.011156">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496751" y3="2.146264" z3="-0.063653">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.7464" y3="1.387672" z3="0.49075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779778" y3="0.900788" z3="1.604118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616954" y3="1.791525" z3="1.335832">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421158" y3="2.024167" z3="0.271464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954217" y3="2.15441" z3="-1.16596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903934" y3="2.200064" z3="0.43705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708325" y3="0.465099" z3="-0.656492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094329" y3="1.660497" z3="2.797525">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217408" y3="-0.703348" z3="-1.510191">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.66848" y3="-1.042316" z3="-1.231992">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075145" y3="-1.798311" z3="-0.112146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.65368" y3="-0.558405" z3="-2.101443">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566374" y3="0.673379" z3="-1.207581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089708" y3="-2.365794" z3="0.879219">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439395" y3="-2.040387" z3="0.105692">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007076" y3="-0.81471" z3="-1.885339">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405126" y3="-1.559571" z3="-0.775287">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472629" y3="-1.798092" z3="-1.822035">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389605" y3="-2.485012" z3="-0.750435">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852776" y3="-0.428441" z3="-0.582734">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741735" y3="-4.378009" z3="0.73557">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200985" y3="-4.242925" z3="1.317957">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500496" y3="-4.042436" z3="-0.295607">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591741" y3="3.230187" z3="-0.15979">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516513" y3="2.074307" z3="0.846923">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977685" y3="3.204282" z3="-1.481084">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.64569" y3="1.61566" z3="-1.821969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333909" y3="2.82137" z3="-0.350752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153246" y3="2.60886" z3="1.411687">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.56069" y3="-1.57106" z3="-1.401783">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121076" y3="-0.38527" z3="-2.554076">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350836" y3="0.027937" z3="-2.963795">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104723" y3="-1.905378" z3="0.835689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458268" y3="-2.28964" z3="1.902778">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748457" y3="-2.605454" z3="0.981415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746932" y3="-0.428521" z3="-2.579492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455886" y3="-1.75796" z3="-0.591012">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583276" y3="-2.285482" z3="-2.790497">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430726" y3="-1.894941" z3="-1.501946">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5827;5.7417,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6055,.9814;8.7469,-.4285,-2.5795;9.4559,-1.758,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772425 0.0391879 0.0375319</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294712" y3="1.458143" z3="-1.568727">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827989" y3="0.571872" z3="0.387045">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.84174" y3="0.076329" z3="2.488517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302329" y3="2.103675" z3="3.661119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422246" y3="1.411852" z3="-0.343303">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232792" y3="1.145115" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322063" y3="-3.735296" z3="-0.769289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037092" y3="-1.724659" z3="0.008159">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225713" y3="1.731258" z3="1.135262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391806" y3="0.375783" z3="-0.292085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753763" y3="-0.383929" z3="-2.028587">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038132" y3="1.760524" z3="-1.816168">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866203" y3="-3.854775" z3="0.642162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371683" y3="0.057059" z3="-3.147609">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518624" y3="1.338781" z3="-3.011153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496754" y3="2.146278" z3="-0.063665">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746407" y3="1.38769" z3="0.490735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.77979" y3="0.900802" z3="1.604104">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616945" y3="1.791534" z3="1.335827">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421153" y3="2.024172" z3="0.271461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954218" y3="2.154413" z3="-1.165965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.90393" y3="2.200064" z3="0.437051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708334" y3="0.465123" z3="-0.656509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094315" y3="1.660506" z3="2.797522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.21742" y3="-0.703319" z3="-1.510212">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668484" y3="-1.042304" z3="-1.23199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075122" y3="-1.798317" z3="-0.112147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653705" y3="-0.558388" z3="-2.101415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566363" y3="0.673362" z3="-1.207571">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089662" y3="-2.365807" z3="0.879192">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439365" y3="-2.040407" z3="0.105715">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007095" y3="-0.814707" z3="-1.885288">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405118" y3="-1.559586" z3="-0.775239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472613" y3="-1.798114" z3="-1.822003">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389593" y3="-2.485027" z3="-0.750402">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852785" y3="-0.428418" z3="-0.582759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741679" y3="-4.378024" z3="0.73552">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.20092" y3="-4.242941" z3="1.317886">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500457" y3="-4.042427" z3="-0.29567">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591741" y3="3.230201" z3="-0.159803">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516519" y3="2.074328" z3="0.846906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977692" y3="3.204285" z3="-1.481091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645691" y3="1.615659" z3="-1.821969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333909" y3="2.821366" z3="-0.350751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153239" y3="2.608863" z3="1.411688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560692" y3="-1.571026" z3="-1.401825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121111" y3="-0.385228" z3="-2.554095">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350882" y3="0.027969" z3="-2.963764">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.10468" y3="-1.905384" z3="0.83565">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458202" y3="-2.289672" z3="1.902759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748406" y3="-2.605488" z3="0.981437">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746968" y3="-0.428514" z3="-2.57942">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455872" y3="-1.757986" z3="-0.590945">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583253" y3="-2.285512" z3="-2.790461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430712" y3="-1.894958" z3="-1.501907">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.4371;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5005,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9638;4.1047,-1.9054,.8357;5.4582,-2.2897,1.9028;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5833,-2.2855,-2.7905;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772423 0.0391880 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294712" y3="1.458133" z3="-1.568718">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827998" y3="0.571876" z3="0.387033">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841723" y3="0.076316" z3="2.488531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302345" y3="2.103664" z3="3.661125">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422239" y3="1.411828" z3="-0.34329">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232807" y3="1.145108" z3="2.96741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322078" y3="-3.735281" z3="-0.76933">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037099" y3="-1.724648" z3="0.008136">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225722" y3="1.731246" z3="1.135271">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391797" y3="0.375762" z3="-0.292067">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753776" y3="-0.383905" z3="-2.028606">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038142" y3="1.760546" z3="-1.816169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866254" y3="-3.854767" z3="0.642214">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371697" y3="0.057092" z3="-3.147623">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518637" y3="1.338813" z3="-3.011156">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496751" y3="2.146265" z3="-0.063653">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.7464" y3="1.387672" z3="0.49075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779778" y3="0.900788" z3="1.604117">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616953" y3="1.791526" z3="1.335832">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421157" y3="2.024167" z3="0.271464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954217" y3="2.15441" z3="-1.16596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903934" y3="2.200064" z3="0.43705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708325" y3="0.4651" z3="-0.656493">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094329" y3="1.660497" z3="2.797525">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217408" y3="-0.703347" z3="-1.510192">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.66848" y3="-1.042316" z3="-1.231992">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075144" y3="-1.798311" z3="-0.112146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653681" y3="-0.558404" z3="-2.101442">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566373" y3="0.673378" z3="-1.207581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089707" y3="-2.365794" z3="0.879218">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439394" y3="-2.040387" z3="0.105693">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007077" y3="-0.81471" z3="-1.885337">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405126" y3="-1.559571" z3="-0.775285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472629" y3="-1.798093" z3="-1.822033">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389606" y3="-2.485012" z3="-0.750433">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852776" y3="-0.428441" z3="-0.582735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741734" y3="-4.378009" z3="0.735567">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200983" y3="-4.242926" z3="1.317954">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500495" y3="-4.042436" z3="-0.29561">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591741" y3="3.230187" z3="-0.159791">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516513" y3="2.074307" z3="0.846923">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977685" y3="3.204282" z3="-1.481085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.64569" y3="1.61566" z3="-1.821968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333909" y3="2.82137" z3="-0.350752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153246" y3="2.608861" z3="1.411687">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.56069" y3="-1.571059" z3="-1.401784">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121077" y3="-0.385268" z3="-2.554077">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350837" y3="0.027938" z3="-2.963794">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104721" y3="-1.905379" z3="0.835687">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458265" y3="-2.289642" z3="1.902777">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748456" y3="-2.605454" z3="0.981416">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746934" y3="-0.428521" z3="-2.579489">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455885" y3="-1.75796" z3="-0.591009">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583275" y3="-2.285483" z3="-2.790495">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430726" y3="-1.894942" z3="-1.501943">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5827;5.7417,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6055,.9814;8.7469,-.4285,-2.5795;9.4559,-1.758,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772425 0.0391879 0.0375319</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.29471" y3="1.458148" z3="-1.568728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827986" y3="0.571873" z3="0.387047">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841741" y3="0.076331" z3="2.488514">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302328" y3="2.103676" z3="3.661118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422248" y3="1.411856" z3="-0.343304">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232791" y3="1.145118" z3="2.967408">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322056" y3="-3.7353" z3="-0.769277">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.03709" y3="-1.724662" z3="0.008165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225712" y3="1.731261" z3="1.13526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391808" y3="0.375787" z3="-0.292088">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753759" y3="-0.383935" z3="-2.028583">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038129" y3="1.760518" z3="-1.816169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866191" y3="-3.854778" z3="0.64215">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.37168" y3="0.057049" z3="-3.147605">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518622" y3="1.338771" z3="-3.011153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496756" y3="2.146282" z3="-0.063666">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.746409" y3="1.387694" z3="0.490733">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779791" y3="0.900805" z3="1.604102">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616943" y3="1.791537" z3="1.335825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421151" y3="2.024174" z3="0.271459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954217" y3="2.154416" z3="-1.165966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903929" y3="2.200065" z3="0.43705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708336" y3="0.465129" z3="-0.656512">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094314" y3="1.660508" z3="2.79752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217422" y3="-0.703313" z3="-1.510216">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.668485" y3="-1.042302" z3="-1.23199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075116" y3="-1.798319" z3="-0.112147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653709" y3="-0.558383" z3="-2.101408">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.56636" y3="0.673358" z3="-1.207569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089652" y3="-2.365811" z3="0.879186">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439359" y3="-2.040412" z3="0.105719">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007099" y3="-0.814706" z3="-1.885277">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405115" y3="-1.55959" z3="-0.775229">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472608" y3="-1.79812" z3="-1.821994">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389589" y3="-2.485032" z3="-0.750393">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852786" y3="-0.428413" z3="-0.582763">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741666" y3="-4.378028" z3="0.735508">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.200906" y3="-4.242946" z3="1.31787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500448" y3="-4.042426" z3="-0.295684">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591742" y3="3.230205" z3="-0.159803">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.51652" y3="2.074331" z3="0.846905">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977692" y3="3.204288" z3="-1.481092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645689" y3="1.615662" z3="-1.821971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333909" y3="2.821365" z3="-0.350754">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153238" y3="2.608867" z3="1.411685">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.560692" y3="-1.571019" z3="-1.401833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121117" y3="-0.385219" z3="-2.554099">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350891" y3="0.027977" z3="-2.963756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.104671" y3="-1.905386" z3="0.835642">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458189" y3="-2.28968" z3="1.902754">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748395" y3="-2.605497" z3="0.98144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746975" y3="-0.428511" z3="-2.579405">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455869" y3="-1.757992" z3="-0.590933">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583245" y3="-2.28552" z3="-2.790452">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430707" y3="-1.894961" z3="-1.501896">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4119,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7247,.0082;-.2257,1.7313,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8662,-3.8548,.6421;-6.3717,.057,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4907;.7798,.9008,1.6041;-1.6169,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7752;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5828;5.7417,-4.378,.7355;4.2009,-4.2429,1.3179;4.5004,-4.0424,-.2957;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.571,-1.4018;4.1211,-.3852,-2.5541;6.3509,.028,-2.9638;4.1047,-1.9054,.8356;5.4582,-2.2897,1.9028;7.7484,-2.6055,.9814;8.747,-.4285,-2.5794;9.4559,-1.758,-.5909;-5.5832,-2.2855,-2.7905;-4.4307,-1.895,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772422 0.0391881 0.0375320</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294711" y3="1.458135" z3="-1.568718">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827997" y3="0.571877" z3="0.387034">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841721" y3="0.076315" z3="2.48853">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302347" y3="2.103663" z3="3.661125">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422239" y3="1.411829" z3="-0.343288">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232809" y3="1.145109" z3="2.967407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322075" y3="-3.735282" z3="-0.769325">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037099" y3="-1.724648" z3="0.008138">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225722" y3="1.731247" z3="1.135271">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391798" y3="0.375763" z3="-0.292066">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753775" y3="-0.383907" z3="-2.028605">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038141" y3="1.760544" z3="-1.81617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866251" y3="-3.854767" z3="0.642212">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371696" y3="0.057088" z3="-3.147622">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518636" y3="1.33881" z3="-3.011158">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496752" y3="2.146266" z3="-0.063652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.7464" y3="1.387672" z3="0.490751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779777" y3="0.900788" z3="1.604117">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616954" y3="1.791527" z3="1.335831">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421157" y3="2.024169" z3="0.271463">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954216" y3="2.154412" z3="-1.165961">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903934" y3="2.200065" z3="0.437048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708326" y3="0.465101" z3="-0.656492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094331" y3="1.660497" z3="2.797524">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217408" y3="-0.703345" z3="-1.510192">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.66848" y3="-1.042315" z3="-1.231993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075143" y3="-1.798312" z3="-0.112147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653681" y3="-0.558403" z3="-2.101441">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566372" y3="0.673377" z3="-1.207582">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089705" y3="-2.365795" z3="0.879217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439392" y3="-2.040389" z3="0.105692">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007077" y3="-0.81471" z3="-1.885336">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405125" y3="-1.559573" z3="-0.775285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472627" y3="-1.798095" z3="-1.82203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389604" y3="-2.485013" z3="-0.75043">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852776" y3="-0.428439" z3="-0.582736">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741731" y3="-4.37801" z3="0.735565">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.20098" y3="-4.242927" z3="1.317951">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500493" y3="-4.042435" z3="-0.295613">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591742" y3="3.230188" z3="-0.159789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516514" y3="2.074307" z3="0.846925">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977684" y3="3.204285" z3="-1.481085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645689" y3="1.615663" z3="-1.82197">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333909" y3="2.82137" z3="-0.350755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153246" y3="2.608863" z3="1.411684">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.56069" y3="-1.571057" z3="-1.401786">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121078" y3="-0.385265" z3="-2.554077">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350839" y3="0.02794" z3="-2.963793">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.10472" y3="-1.905379" z3="0.835685">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458263" y3="-2.289643" z3="1.902776">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748453" y3="-2.605457" z3="0.981416">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746935" y3="-0.428522" z3="-2.579488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455884" y3="-1.757963" z3="-0.591008">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583272" y3="-2.285486" z3="-2.790491">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430724" y3="-1.894943" z3="-1.501939">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5827;5.7417,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6055,.9814;8.7469,-.4285,-2.5795;9.4559,-1.758,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772425 0.0391879 0.0375319</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="-0.294711" y3="1.458135" z3="-1.568718">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="S" id="a2" x3="-4.827997" y3="0.571877" z3="0.387034">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="0.841721" y3="0.076315" z3="2.48853">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-1.302347" y3="2.103663" z3="3.661125">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="4.422239" y3="1.411829" z3="-0.343288">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a6" x3="-3.232809" y3="1.145109" z3="2.967407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a7" x3="-6.322075" y3="-3.735282" z3="-0.769325">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a8" x3="-7.037099" y3="-1.724648" z3="0.008138">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="-0.225722" y3="1.731247" z3="1.135271">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a10" x3="2.391798" y3="0.375763" z3="-0.292066">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a11" x3="-5.753775" y3="-0.383907" z3="-2.028605">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a12" x3="-6.038141" y3="1.760544" z3="-1.81617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a13" x3="4.866251" y3="-3.854767" z3="0.642212">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a14" x3="-6.371696" y3="0.057088" z3="-3.147622">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a15" x3="-6.518636" y3="1.33881" z3="-3.011158">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="0.496752" y3="2.146266" z3="-0.063652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="1.7464" y3="1.387672" z3="0.490751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.779777" y3="0.900788" z3="1.604117">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-1.616954" y3="1.791527" z3="1.335831">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="-2.421157" y3="2.024169" z3="0.271463">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="-1.954216" y3="2.154412" z3="-1.165961">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-3.903934" y3="2.200065" z3="0.437048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="3.708326" y3="0.465101" z3="-0.656492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="-2.094331" y3="1.660497" z3="2.797524">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="4.217408" y3="-0.703345" z3="-1.510192">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="5.66848" y3="-1.042315" z3="-1.231993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="6.075143" y3="-1.798312" z3="-0.112147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="6.653681" y3="-0.558403" z3="-2.101441">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a29" x3="-5.566372" y3="0.673377" z3="-1.207582">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a30" x3="5.089705" y3="-2.365795" z3="0.879217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a31" x3="7.439392" y3="-2.040389" z3="0.105692">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a32" x3="8.007077" y3="-0.81471" z3="-1.885336">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a33" x3="8.405125" y3="-1.559573" z3="-0.775285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a34" x3="-5.472627" y3="-1.798095" z3="-1.82203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a35" x3="-6.389604" y3="-2.485013" z3="-0.75043">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="1.852776" y3="-0.428439" z3="-0.582736">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="5.741731" y3="-4.37801" z3="0.735565">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="4.20098" y3="-4.242927" z3="1.317951">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="4.500493" y3="-4.042435" z3="-0.295613">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="0.591742" y3="3.230188" z3="-0.159789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="2.516514" y3="2.074307" z3="0.846925">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="-1.977684" y3="3.204285" z3="-1.481085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-2.645689" y3="1.615663" z3="-1.82197">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-4.333909" y3="2.82137" z3="-0.350755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-4.153246" y3="2.608863" z3="1.411684">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="3.56069" y3="-1.571057" z3="-1.401786">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="4.121078" y3="-0.385265" z3="-2.554077">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="6.350839" y3="0.02794" z3="-2.963793">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="4.10472" y3="-1.905379" z3="0.835685">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="5.458263" y3="-2.289643" z3="1.902776">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="7.748453" y3="-2.605457" z3="0.981416">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="8.746935" y3="-0.428522" z3="-2.579488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a53" x3="9.455884" y3="-1.757963" z3="-0.591008">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a54" x3="-5.583272" y3="-2.285486" z3="-2.790491">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a55" x3="-4.430724" y3="-1.894943" z3="-1.501939">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H20N7O6S2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">498.3872999999997</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5827;5.7417,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6055,.9814;8.7469,-.4285,-2.5795;9.4559,-1.758,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.5019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772425 0.0391879 0.0375319</array>
                  </module>
               </module>
               <module cmlx:templateRef="l716.forces">
                  <list cmlx:templateRef="force">
                     <array dataType="xsd:integer" dictRef="x:serial" size="55">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55</array>
                     <array dataType="xsd:integer" dictRef="x:elementType" size="55">16 16 8 8 8 8 8 8 7 7 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                     <list>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.002277626 -0.002659515 -0.018809839</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.004258313 -0.019080609 -0.001284793</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.003012596 -0.001795575 0.005472835</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.020183688 -0.049957417 -0.035226321</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.003088146 0.003245814 -0.006840347</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.006692812 -0.041142291 0.002049048</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.023333332 0.071103745 0.006385185</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.008438964 0.030223630 0.018088327</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.014367126 0.027867791 -0.011486121</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.010086448 -0.034594392 0.004318076</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.017411110 -0.003271935 -0.004651597</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.043555442 0.015539701 0.007858865</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000535424 -0.005049072 -0.008913886</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000223291 0.039206488 0.006758429</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.007692400 -0.015170730 -0.001253255</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.021128147 -0.018558615 -0.010864193</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.042527362 0.002946773 -0.009159552</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.026108958 -0.000373879 0.003450436</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.028969629 -0.017773232 -0.011531983</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.018230279 -0.006592143 -0.010531642</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000445588 -0.001283205 0.032499038</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.031100783 0.014331776 0.009805631</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.022215779 0.016505259 0.003206735</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.037135828 0.091521948 0.067991458</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.004058875 -0.008740673 0.013725693</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000201942 0.016749192 -0.004668383</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.007849616 -0.014248668 0.005438708</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.008573016 -0.004072784 0.005376239</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.055792506 -0.016708081 -0.008548321</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.013165743 0.014326159 0.023351254</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.006346351 -0.003728949 0.003344036</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.005001737 0.001930630 0.000503177</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001957510 -0.004980572 0.002880916</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000242425 0.012828409 0.008180590</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.039942543 -0.121301264 -0.010729416</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.004617854 0.000414771 0.000313465</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000454188 -0.012380068 -0.006654589</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.010431212 -0.003308901 -0.009325992</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.005422336 -0.001772860 -0.013302601</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.004325250 0.000663282 0.009118782</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.019055450 0.026919032 0.022655397</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.006302147 -0.000181322 -0.022408969</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001052252 0.011175544 -0.016382453</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.015835206 0.002704321 0.009820959</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.016266121 0.005216030 -0.004638843</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.007634967 0.012857200 -0.021662944</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.009180700 -0.001594377 -0.015715137</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001374385 -0.002715013 0.000927005</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.015066686 -0.009312036 0.013971968</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.014548263 0.012706624 0.002753026</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001237949 0.001984682 -0.000020575</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.002740290 -0.000555708 -0.000485542</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001826896 0.001998551 -0.001518679</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.009045211 -0.001967930 -0.011795863</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.005953173 -0.010095536 -0.011833439</array>
                     </list>
                  </list>
                  <list cmlx:templateRef="cartesianforce">
                     <scalar dataType="xsd:double" dictRef="cc:maxforce">0.121301264</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:rmsforce">0.020885295</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l401"/>
               <module cmlx:templateRef="l50X">
                  <scalar dataType="xsd:integer" dictRef="cc:ncycle">4</scalar>
                  <scalar dataType="xsd:double" dictRef="g:rbhflyp" units="nonsi:hartree">-2405.29138394</scalar>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:jobtime">
                  <scalar dataType="xsd:string">PT245717.900S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:date">2021-10-17T18:48:55.000</scalar>
               </property>
               <property>
                  <module cmlx:templateRef="l601.mullik">
                     <scalar dataType="xsd:string" dictRef="g:title">Mulliken charges:</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
                     <list cmlx:templateRef="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="55">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="55">S S O O O O O O N N N N N N N C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="55">0.080541 0.164923 -0.514679 -0.704486 -0.541216 -0.573463 -0.733708 -0.586323 -0.477785 -0.562472 -0.261127 -0.369959 -0.480257 -0.097304 -0.163975 -0.095407 -0.023864 0.602817 0.340523 -0.056450 -0.384296 -0.369679 0.601443 0.419125 -0.367532 0.123001 0.063994 -0.125560 0.338145 -0.216503 -0.119609 -0.093590 -0.095225 -0.154763 0.500709 0.304877 0.386387 0.386431 0.374377 0.193508 0.152451 0.175046 0.166200 0.165580 0.171671 0.112322 0.178129 0.114851 0.181879 0.200402 0.119573 0.114932 0.114088 0.163464 0.157845</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">-1.00000</scalar>
                  </module>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal">
                     <array dataType="xsd:double" dictRef="g:alphaocc" size="130">-19.06779 -19.06493 -19.06359 -14.47834 -14.42804 -14.39630 -14.38716 -14.38093 -14.37999 -14.35342 -10.30716 -10.30152 -10.27803 -10.27256 -10.26236 -10.25689 -10.25472 -10.24971 -10.22601 -10.22163 -10.22081 -10.22056 -10.21772 -10.21621 -10.21353 -10.20783 -10.20404 -10.20337 -10.20197 -10.20135 -7.95390 -7.94378 -5.91933 -5.91507 -5.90879 -5.90854 -5.90569 -5.89836 -1.12787 -1.05672 -1.04884 -1.02049 -1.00195 -1.00004 -0.98335 -0.94192 -0.93716 -0.91377 -0.91280 -0.88711 -0.87771 -0.83567 -0.80422 -0.79564 -0.78922 -0.78025 -0.74202 -0.73340 -0.71953 -0.70701 -0.68664 -0.66893 -0.64539 -0.62659 -0.62231 -0.61345 -0.60263 -0.59880 -0.59524 -0.58942 -0.57790 -0.55232 -0.52611 -0.52470 -0.51321 -0.50360 -0.50271 -0.50026 -0.49251 -0.49124 -0.47647 -0.47187 -0.46776 -0.46016 -0.45214 -0.45137 -0.44039 -0.43379 -0.43057 -0.42890 -0.42667 -0.42488 -0.42145 -0.41706 -0.40850 -0.40748 -0.40156 -0.39761 -0.39206 -0.37936 -0.37840 -0.37581 -0.37260 -0.37120 -0.36607 -0.36141 -0.35523 -0.35245 -0.34775 -0.34585 -0.33145 -0.31392 -0.30952 -0.29981 -0.29483 -0.29025 -0.28527 -0.27460 -0.26667 -0.25930 -0.25889 -0.24191 -0.23904 -0.22706 -0.22523 -0.22201 -0.21806 -0.21312 -0.20971 -0.20604</array>
                     <array dataType="xsd:double" dictRef="g:alphavirt" size="498">-0.03490 -0.03027 -0.01950 -0.00538 0.00674 0.01301 0.02454 0.03193 0.03339 0.05267 0.06225 0.07473 0.07817 0.07914 0.09014 0.09249 0.09970 0.10335 0.10558 0.11384 0.12193 0.12377 0.12837 0.12907 0.14187 0.14543 0.14993 0.15802 0.16137 0.16286 0.16490 0.16868 0.17600 0.17812 0.18472 0.18657 0.19273 0.20378 0.21173 0.21264 0.22166 0.22552 0.23262 0.23473 0.24807 0.25330 0.26726 0.26978 0.27215 0.29194 0.29898 0.30369 0.31377 0.31685 0.31892 0.32593 0.33097 0.33359 0.33771 0.34962 0.35641 0.36808 0.37543 0.37958 0.38535 0.39355 0.39763 0.40666 0.41539 0.41827 0.44664 0.45319 0.45720 0.46409 0.47087 0.48676 0.49009 0.49617 0.50547 0.50981 0.51925 0.52576 0.52840 0.53124 0.53654 0.53933 0.54328 0.54873 0.55661 0.55716 0.56767 0.57114 0.58028 0.58278 0.58475 0.59040 0.59093 0.59753 0.60234 0.60297 0.60460 0.60749 0.61505 0.62152 0.62445 0.63077 0.63328 0.64230 0.64613 0.64876 0.65190 0.65570 0.66079 0.66627 0.67266 0.67311 0.67760 0.68294 0.69158 0.69930 0.70455 0.70794 0.71802 0.72365 0.72696 0.73206 0.73329 0.74174 0.74543 0.74915 0.75371 0.76608 0.76957 0.77803 0.78296 0.78485 0.78928 0.79741 0.80440 0.80651 0.81424 0.81604 0.82226 0.83103 0.83344 0.83473 0.83750 0.84410 0.84699 0.85104 0.85526 0.85763 0.86341 0.86636 0.87053 0.87789 0.88383 0.89027 0.89130 0.89495 0.90241 0.90305 0.90708 0.91779 0.92057 0.92329 0.92855 0.93216 0.93234 0.93899 0.94367 0.94998 0.95520 0.95769 0.97047 0.97455 0.97799 0.98598 0.99189 1.00509 1.00766 1.01176 1.02090 1.02499 1.02755 1.03459 1.04184 1.04960 1.05548 1.05816 1.06326 1.07502 1.07912 1.09209 1.09653 1.10253 1.10876 1.11664 1.11860 1.13127 1.13594 1.14250 1.14833 1.15575 1.16196 1.17940 1.18833 1.19369 1.21896 1.22134 1.22518 1.23012 1.23820 1.25623 1.26502 1.27310 1.28169 1.28814 1.29356 1.31853 1.33665 1.33981 1.34974 1.35326 1.36029 1.37539 1.38710 1.39420 1.39741 1.40389 1.40662 1.41622 1.42923 1.43202 1.44222 1.46104 1.47548 1.47898 1.48881 1.50385 1.51543 1.51690 1.51807 1.52853 1.53601 1.55847 1.56463 1.57188 1.58032 1.59771 1.60318 1.61602 1.62338 1.63104 1.66040 1.67063 1.67168 1.67804 1.68948 1.69242 1.72010 1.73152 1.73485 1.74252 1.74772 1.75155 1.75275 1.76390 1.76587 1.77266 1.77434 1.78287 1.79067 1.79518 1.81171 1.82292 1.82628 1.84174 1.84768 1.85136 1.85365 1.85814 1.86288 1.87105 1.87469 1.87714 1.87950 1.88490 1.88912 1.89840 1.90115 1.90745 1.91119 1.92783 1.92896 1.93200 1.93498 1.94312 1.94863 1.95172 1.95697 1.96120 1.96497 1.96897 1.97917 1.98570 1.99021 1.99695 2.00059 2.00415 2.02243 2.03333 2.04267 2.05240 2.06201 2.07411 2.07509 2.07766 2.08699 2.09746 2.10284 2.10692 2.11091 2.12340 2.13573 2.13974 2.14723 2.16169 2.16886 2.17104 2.17477 2.17638 2.18770 2.19583 2.20887 2.21649 2.22448 2.22922 2.23342 2.24551 2.25443 2.26188 2.26376 2.27022 2.27798 2.28410 2.29392 2.30003 2.30245 2.30793 2.32225 2.33000 2.33817 2.34314 2.34781 2.35795 2.36801 2.37404 2.37984 2.38110 2.39598 2.40342 2.41339 2.42015 2.42924 2.43376 2.43754 2.44057 2.45077 2.45626 2.47323 2.48293 2.49003 2.49379 2.51052 2.51795 2.52987 2.54140 2.54957 2.55606 2.56047 2.56406 2.57321 2.57622 2.58016 2.59339 2.61355 2.62462 2.62662 2.63449 2.63870 2.64279 2.65631 2.65799 2.67270 2.68012 2.68992 2.70276 2.70996 2.71847 2.72398 2.73018 2.73781 2.74158 2.74612 2.75388 2.75765 2.76278 2.77828 2.77906 2.79406 2.80253 2.81327 2.83056 2.85000 2.87106 2.88064 2.88493 2.89044 2.89243 2.89510 2.91247 2.93426 2.94364 2.94526 2.95340 2.97543 2.98054 3.00598 3.01523 3.02657 3.03181 3.04678 3.05438 3.08053 3.10904 3.12732 3.13063 3.14351 3.18017 3.18983 3.22249 3.23142 3.26054 3.26980 3.27863 3.29623 3.30954 3.31684 3.31917 3.34096 3.35379 3.35803 3.38292 3.44127 3.44818 3.45235 3.45805 3.47041 3.49081 3.51271 3.52351 3.53938 3.70046 3.84067 3.85292 3.89778 3.93569 3.96920 3.99051 4.03105 4.06324 4.12646 4.12759 4.13824 4.16201 4.17934 4.18361 4.20595 4.22802 4.26250 4.29836 4.31918 4.34738 4.37339 4.39892 4.40977 4.43908 4.48144 4.49567 4.50843 4.53477 4.61511 4.63454 4.67801 4.71611 4.83034 4.95380</array>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l601.mullik">
                     <scalar dataType="xsd:string" dictRef="g:title">Mulliken charges:</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
                     <list cmlx:templateRef="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="55">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="55">S S O O O O O O N N N N N N N C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="55">0.065194 0.139778 -0.510698 -0.634740 -0.543987 -0.625773 -0.643693 -0.624861 -0.483549 -0.512830 -0.258233 -0.382897 -0.512999 -0.104767 -0.144764 -0.064401 -0.058035 0.576506 0.212800 0.057856 -0.400173 -0.383903 0.603340 0.484722 -0.377359 0.122029 0.063202 -0.133164 0.304077 -0.184644 -0.120702 -0.086501 -0.093827 -0.164380 0.530786 0.300876 0.378592 0.383951 0.380196 0.166757 0.174117 0.167812 0.162084 0.156763 0.163574 0.138131 0.173460 0.113731 0.182980 0.202950 0.120832 0.117192 0.117387 0.139658 0.149545</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">-1.00000</scalar>
                  </module>
               </property>
               <property dictRef="cc:forces">
                  <scalar dictRef="cc:linkToAtoms">./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999']</scalar>
               </property>
               <property dictRef="cc:multipole">
                  <list cmlx:templateRef="multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">66.1734 -15.1520 -9.4433</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">68.5396</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-375.1110 -192.2600 -281.1723</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-138.9183 -0.1826 -27.2481</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-92.2632 90.5877 1.6755 -138.9183 -0.1826 -27.2481</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">2816.4847 -227.8490 15.9306 675.1244 -196.1802 242.2693 353.4229 -153.3224 103.3944 -61.5982</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-36592.5508 -3455.9975 -4503.3436 -3652.9641 -1852.7120 -873.4751 -628.4543 -550.6292 -551.5023 -5868.1831 -6288.2620 -1425.9082 -336.0389 12.1926 665.5166</array>
                  </list>
               </property>
            </propertyList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l9999.archive" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="g:zmat">0</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:hfenergy" units="nonsi:hartree">-2405.2913839</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsd" units="nonsi:unknown">2.36E-9</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsf" units="nonsi:unknown">1.958E-6</scalar>
                  <scalar dataType="xsd:string" dictRef="x:Quadrupole">-68.5954388,67.3497538,1.2456849,-103.2823482,-0.135783,-20.2583271</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:pointgroup">C01 [X(C20H20N7O6S2)]</scalar>
                  <array dataType="xsd:double" dictRef="cc:dipole" size="3" units="nonsi:debye">25.4197902 -5.8020319 -4.1202009</array>
               </module>
            </module>
            <molecule formalCharge="-1" id="mol9999" spinMultiplicity="1">
               <atomArray>
                  <atom elementType="S" id="a1" x3="-0.29471105" y3="1.45813544" z3="-1.56871751">
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.0" size="3">-0.000001016 -0.000001302 -0.000000900</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.1" size="3">0.000000258 -0.000000347 0.000002482</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.2" size="3">0.000001581 0.000002494 -0.000000221</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.3" size="3">0.000001928 0.000003283 -0.000000914</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.4" size="3">-0.000000288 0.000000656 -0.000003581</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.5" size="3">0.000001698 0.000002303 0.000001018</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.6" size="3">0.000000355 -0.000001694 0.000007287</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.7" size="3">0.000000486 -0.000001081 0.000005816</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.8" size="3">0.000000519 0.000001193 -0.000001243</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.9" size="3">-0.000000023 0.000000180 -0.000001574</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.10" size="3">-0.000000946 -0.000002807 0.000003871</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.11" size="3">-0.000001238 -0.000002530 0.000002026</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.12" size="3">0.000001248 0.000001589 0.000001021</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.13" size="3">-0.000001657 -0.000003776 0.000003917</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.14" size="3">-0.000001786 -0.000003655 0.000002786</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.15" size="3">-0.000000274 0.000000191 -0.000001997</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.16" size="3">0.000000156 0.000001043 -0.000001982</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.17" size="3">0.000000922 0.000001793 -0.000001070</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.18" size="3">0.000000608 0.000001097 -0.000000441</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.19" size="3">-0.000000008 0.000000050 -0.000000197</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.20" size="3">-0.000000911 -0.000001236 -0.000000587</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.21" size="3">-0.000000003 -0.000000122 0.000000456</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.22" size="3">-0.000000334 0.000000276 -0.000002229</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.23" size="3">0.000001408 0.000002337 -0.000000023</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.24" size="3">-0.000000613 -0.000000369 -0.000001618</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.25" size="3">-0.000000446 -0.000000070 -0.000001971</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.26" size="3">0.000000571 0.000001136 -0.000001561</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.27" size="3">-0.000000891 -0.000000498 -0.000003158</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.28" size="3">-0.000000641 -0.000001907 0.000002882</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.29" size="3">0.000000958 0.000001850 -0.000000518</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.30" size="3">0.000000547 0.000001640 -0.000002260</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.31" size="3">-0.000000720 -0.000000140 -0.000003615</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.32" size="3">-0.000000077 0.000000867 -0.000003065</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.33" size="3">-0.000000587 -0.000002381 0.000005005</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.34" size="3">0.000000157 -0.000001570 0.000006206</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.35" size="3">-0.000000108 -0.000000021 -0.000000436</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.36" size="3">0.000001321 0.000001842 0.000000904</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.37" size="3">0.000001669 0.000002107 0.000001656</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.38" size="3">0.000000701 0.000000704 0.000001329</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.39" size="3">-0.000000491 0.000000121 -0.000003020</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.40" size="3">0.000000283 0.000001407 -0.000003078</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.41" size="3">-0.000001256 -0.000001534 -0.000001523</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.42" size="3">-0.000001175 -0.000001954 0.000000297</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.43" size="3">-0.000000540 -0.000000887 0.000000171</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.44" size="3">0.000000539 0.000000721 0.000000248</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.45" size="3">-0.000000380 -0.000000502 -0.000000348</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.46" size="3">-0.000001239 -0.000001439 -0.000001757</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.47" size="3">-0.000001567 -0.000001385 -0.000003443</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.48" size="3">0.000001006 0.000001662 -0.000000354</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.49" size="3">0.000001626 0.000002872 -0.000000894</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.50" size="3">0.000001176 0.000002435 -0.000001852</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.51" size="3">-0.000001241 -0.000000622 -0.000004394</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.52" size="3">0.000000131 0.000001309 -0.000003609</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.53" size="3">-0.000001016 -0.000003343 0.000005546</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.54" size="3">-0.000000376 -0.000001983 0.000004506</array>
                     </property>
                  </atom>
                  <atom elementType="S" id="a2" x3="-4.82799711" y3="0.57187667" z3="0.3870336"/>
                  <atom elementType="O" id="a3" x3="0.84172129" y3="0.07631472" z3="2.48852989"/>
                  <atom elementType="O" id="a4" x3="-1.30234706" y3="2.10366261" z3="3.66112505"/>
                  <atom elementType="O" id="a5" x3="4.42223922" y3="1.41182865" z3="-0.3432879"/>
                  <atom elementType="O" id="a6" x3="-3.2328092" y3="1.1451088" z3="2.9674072"/>
                  <atom elementType="O" id="a7" x3="-6.32207509" y3="-3.7352819" z3="-0.76932517"/>
                  <atom elementType="O" id="a8" x3="-7.03709909" y3="-1.72464845" z3="0.00813761"/>
                  <atom elementType="N" id="a9" x3="-0.22572177" y3="1.73124724" z3="1.13527138"/>
                  <atom elementType="N" id="a10" x3="2.39179769" y3="0.37576309" z3="-0.29206643"/>
                  <atom elementType="N" id="a11" x3="-5.75377472" y3="-0.38390731" z3="-2.02860482"/>
                  <atom elementType="N" id="a12" x3="-6.03814094" y3="1.76054402" z3="-1.81617021"/>
                  <atom elementType="N" id="a13" x3="4.86625117" y3="-3.8547672" z3="0.64221156"/>
                  <atom elementType="N" id="a14" x3="-6.3716956" y3="0.05708831" z3="-3.14762243"/>
                  <atom elementType="N" id="a15" x3="-6.51863567" y3="1.33880954" z3="-3.01115756"/>
                  <atom elementType="C" id="a16" x3="0.4967521" y3="2.146266" z3="-0.06365241"/>
                  <atom elementType="C" id="a17" x3="1.74640041" y3="1.38767246" z3="0.49075116"/>
                  <atom elementType="C" id="a18" x3="0.77977739" y3="0.90078794" z3="1.60411733"/>
                  <atom elementType="C" id="a19" x3="-1.61695371" y3="1.79152651" z3="1.33583142"/>
                  <atom elementType="C" id="a20" x3="-2.42115702" y3="2.02416867" z3="0.27146263"/>
                  <atom elementType="C" id="a21" x3="-1.95421577" y3="2.15441213" z3="-1.16596089"/>
                  <atom elementType="C" id="a22" x3="-3.90393388" y3="2.20006513" z3="0.4370479"/>
                  <atom elementType="C" id="a23" x3="3.7083258" y3="0.46510062" z3="-0.6564917"/>
                  <atom elementType="C" id="a24" x3="-2.09433086" y3="1.66049709" z3="2.79752365"/>
                  <atom elementType="C" id="a25" x3="4.21740848" y3="-0.70334466" z3="-1.51019206"/>
                  <atom elementType="C" id="a26" x3="5.66848016" y3="-1.04231509" z3="-1.23199259"/>
                  <atom elementType="C" id="a27" x3="6.07514308" y3="-1.79831153" z3="-0.11214705"/>
                  <atom elementType="C" id="a28" x3="6.65368124" y3="-0.5584033" z3="-2.10144129"/>
                  <atom elementType="C" id="a29" x3="-5.5663723" y3="0.67337695" z3="-1.2075816"/>
                  <atom elementType="C" id="a30" x3="5.08970489" y3="-2.36579486" z3="0.87921677"/>
                  <atom elementType="C" id="a31" x3="7.43939219" y3="-2.04038876" z3="0.1056924"/>
                  <atom elementType="C" id="a32" x3="8.00707745" y3="-0.81471038" z3="-1.88533619"/>
                  <atom elementType="C" id="a33" x3="8.40512524" y3="-1.55957269" z3="-0.7752848"/>
                  <atom elementType="C" id="a34" x3="-5.47262681" y3="-1.79809499" z3="-1.82203006"/>
                  <atom elementType="C" id="a35" x3="-6.38960415" y3="-2.48501311" z3="-0.75042993"/>
                  <atom elementType="H" id="a36" x3="1.85277583" y3="-0.42843899" z3="-0.58273565"/>
                  <atom elementType="H" id="a37" x3="5.74173099" y3="-4.37801008" z3="0.73556465"/>
                  <atom elementType="H" id="a38" x3="4.20098011" y3="-4.24292679" z3="1.31795059"/>
                  <atom elementType="H" id="a39" x3="4.5004928" y3="-4.04243539" z3="-0.29561251"/>
                  <atom elementType="H" id="a40" x3="0.59174238" y3="3.23018838" z3="-0.1597887"/>
                  <atom elementType="H" id="a41" x3="2.5165135" y3="2.07430715" z3="0.84692514"/>
                  <atom elementType="H" id="a42" x3="-1.97768368" y3="3.2042849" z3="-1.48108454"/>
                  <atom elementType="H" id="a43" x3="-2.64568867" y3="1.61566292" z3="-1.8219698"/>
                  <atom elementType="H" id="a44" x3="-4.33390851" y3="2.82137047" z3="-0.3507549"/>
                  <atom elementType="H" id="a45" x3="-4.15324587" y3="2.60886307" z3="1.41168445"/>
                  <atom elementType="H" id="a46" x3="3.56068999" y3="-1.57105658" z3="-1.40178633"/>
                  <atom elementType="H" id="a47" x3="4.12107831" y3="-0.38526462" z3="-2.55407702"/>
                  <atom elementType="H" id="a48" x3="6.35083873" y3="0.02793984" z3="-2.96379274"/>
                  <atom elementType="H" id="a49" x3="4.10471953" y3="-1.90537886" z3="0.83568545"/>
                  <atom elementType="H" id="a50" x3="5.45826284" y3="-2.28964312" z3="1.90277591"/>
                  <atom elementType="H" id="a51" x3="7.74845328" y3="-2.605457" z3="0.98141574"/>
                  <atom elementType="H" id="a52" x3="8.74693454" y3="-0.42852153" z3="-2.57948761"/>
                  <atom elementType="H" id="a53" x3="9.45588433" y3="-1.75796287" z3="-0.59100827"/>
                  <atom elementType="H" id="a54" x3="-5.58327205" y3="-2.2854862" z3="-2.79049149"/>
                  <atom elementType="H" id="a55" x3="-4.43072436" y3="-1.89494307" z3="-1.5019393"/>
               </atomArray>
               <bondArray/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">498.3872999999997</scalar>
               </property>
            <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5827;5.7417,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6055,.9814;8.7469,-.4285,-2.5795;9.4559,-1.758,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.5019;</scalar>
</formula>
</molecule>
         </module>
      </module>
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">Gaussian 16</scalar>
               </parameter>
               <parameter dictRef="cc:hostname">
                  <scalar dataType="xsd:string">GINC-ART</scalar>
               </parameter>
               <parameter dictRef="cc:jobname">
                  <scalar dataType="xsd:string">GMALLOCI</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">ceforanide opt 6-31G**</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">ES64L-G16RevA.03</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">RB3LYP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">6-31G(d,p)</scalar>
               </parameter>
               <parameter dictRef="g:operation">
                  <scalar dataType="xsd:string">Freq</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">#N</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Geom=AllCheck</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Guess=TCheck</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">SCRF=Check</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Test</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">GenChk</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">RB3LYP/6-31G(d,p)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Freq</scalar>
               </parameter>
            </parameterList>
            <molecule cmlx:templateRef="atom" formalCharge="-1" id="mol.l202.orient" spinMultiplicity="1">
               <atomArray>
                  <atom elementType="S" id="a1" x3="-0.294711" y3="1.458135" z3="-1.568718">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="S" id="a2" x3="-4.827997" y3="0.571877" z3="0.387034">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="O" id="a3" x3="0.841721" y3="0.076315" z3="2.48853">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="O" id="a4" x3="-1.302347" y3="2.103663" z3="3.661125">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="O" id="a5" x3="4.422239" y3="1.411829" z3="-0.343288">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="O" id="a6" x3="-3.232809" y3="1.145109" z3="2.967407">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="O" id="a7" x3="-6.322075" y3="-3.735282" z3="-0.769325">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="O" id="a8" x3="-7.037099" y3="-1.724648" z3="0.008138">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="N" id="a9" x3="-0.225722" y3="1.731247" z3="1.135271">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="N" id="a10" x3="2.391798" y3="0.375763" z3="-0.292066">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="N" id="a11" x3="-5.753775" y3="-0.383907" z3="-2.028605">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="N" id="a12" x3="-6.038141" y3="1.760544" z3="-1.81617">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="N" id="a13" x3="4.866251" y3="-3.854767" z3="0.642212">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="N" id="a14" x3="-6.371696" y3="0.057088" z3="-3.147622">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="N" id="a15" x3="-6.518636" y3="1.33881" z3="-3.011158">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a16" x3="0.496752" y3="2.146266" z3="-0.063652">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a17" x3="1.7464" y3="1.387672" z3="0.490751">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a18" x3="0.779777" y3="0.900788" z3="1.604117">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a19" x3="-1.616954" y3="1.791527" z3="1.335831">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a20" x3="-2.421157" y3="2.024169" z3="0.271463">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a21" x3="-1.954216" y3="2.154412" z3="-1.165961">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a22" x3="-3.903934" y3="2.200065" z3="0.437048">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a23" x3="3.708326" y3="0.465101" z3="-0.656492">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a24" x3="-2.094331" y3="1.660497" z3="2.797524">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a25" x3="4.217408" y3="-0.703345" z3="-1.510192">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a26" x3="5.66848" y3="-1.042315" z3="-1.231993">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a27" x3="6.075143" y3="-1.798312" z3="-0.112147">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a28" x3="6.653681" y3="-0.558403" z3="-2.101441">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a29" x3="-5.566372" y3="0.673377" z3="-1.207582">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a30" x3="5.089705" y3="-2.365795" z3="0.879217">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a31" x3="7.439392" y3="-2.040389" z3="0.105692">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a32" x3="8.007077" y3="-0.81471" z3="-1.885336">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a33" x3="8.405125" y3="-1.559573" z3="-0.775285">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a34" x3="-5.472627" y3="-1.798095" z3="-1.82203">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a35" x3="-6.389604" y3="-2.485013" z3="-0.75043">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a36" x3="1.852776" y3="-0.428439" z3="-0.582736">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a37" x3="5.741731" y3="-4.37801" z3="0.735565">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a38" x3="4.20098" y3="-4.242927" z3="1.317951">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a39" x3="4.500493" y3="-4.042435" z3="-0.295613">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a40" x3="0.591742" y3="3.230188" z3="-0.159789">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a41" x3="2.516514" y3="2.074307" z3="0.846925">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a42" x3="-1.977684" y3="3.204285" z3="-1.481085">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a43" x3="-2.645689" y3="1.615663" z3="-1.82197">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a44" x3="-4.333909" y3="2.82137" z3="-0.350755">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a45" x3="-4.153246" y3="2.608863" z3="1.411684">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a46" x3="3.56069" y3="-1.571057" z3="-1.401786">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a47" x3="4.121078" y3="-0.385265" z3="-2.554077">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a48" x3="6.350839" y3="0.02794" z3="-2.963793">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a49" x3="4.10472" y3="-1.905379" z3="0.835685">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a50" x3="5.458263" y3="-2.289643" z3="1.902776">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a51" x3="7.748453" y3="-2.605457" z3="0.981416">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a52" x3="8.746935" y3="-0.428522" z3="-2.579488">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a53" x3="9.455884" y3="-1.757963" z3="-0.591008">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a54" x3="-5.583272" y3="-2.285486" z3="-2.790491">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a55" x3="-4.430724" y3="-1.894943" z3="-1.501939">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
               </atomArray>
               <bondArray/>
               <formula concise="C20H20N7O6S2"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">498.3872999999997</scalar>
               </property>
            <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5827;5.7417,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6055,.9814;8.7469,-.4285,-2.5795;9.4559,-1.758,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.5019;</scalar>
</formula>
</molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l101" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l101.title">
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">ceforanide opt 6-31G**</scalar>
                  </module>
                  <module cmlx:templateRef="l101.redundantcoords">
                     <scalar cmlx:templateRef="redundant" dataType="xsd:string" dictRef="g:redundant">Redundant internal coordinates found in file.  (old form).</scalar>
                  </module>
                  <list cmlx:templateRef="rest">
                     <scalar dataType="xsd:string" dictRef="x:l101">Charge = -1 Multiplicity = 1</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l103" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="berny">
                     <scalar dataType="xsd:string" dictRef="g:optimization">Berny optimization.</scalar>
                  </list>
                  <module cmlx:templateRef="l103.init">
                     <list cmlx:templateRef="length">
                        <array dataType="xsd:string" dictRef="g:symbol" size="58">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="58">1 1 2 2 3 4 5 6 7 8 9 9 9 10 10 10 11 11 11 12 12 13 13 13 13 14 16 16 17 17 19 19 20 20 21 21 22 22 23 25 25 25 26 26 27 27 28 28 30 30 31 31 32 32 33 34 34 34</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="58">16 21 22 29 18 24 23 24 35 35 16 18 19 17 23 36 14 29 34 15 29 30 37 38 39 15 17 40 18 41 20 24 21 22 42 43 44 45 25 26 46 47 27 28 30 31 32 48 49 50 33 51 33 52 53 35 54 55</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="58">1.8344 1.8442 1.8728 1.7602 1.2107 1.2528 1.2264 1.2612 1.2522 1.2541 1.46 1.3858 1.4069 1.4329 1.369 1.0108 1.3522 1.3517 1.4566 1.3553 1.3322 1.5242 1.0242 1.0246 1.024 1.2973 1.5635 1.0923 1.5527 1.0915 1.3542 1.5432 1.517 1.5023 1.0964 1.0949 1.0916 1.0859 1.534 1.5159 1.0936 1.0955 1.411 1.4003 1.5086 1.4026 1.3943 1.0859 1.0882 1.0906 1.3928 1.0871 1.3948 1.0855 1.0851 1.5688 1.0898 1.0943</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="58">calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically</array>
                     </list>
                     <list cmlx:templateRef="angle">
                        <array dataType="xsd:string" dictRef="g:symbol" size="101">A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="101">16 22 16 16 18 17 17 23 14 14 29 15 30 30 30 37 37 38 11 12 1 1 1 9 9 17 10 10 10 16 16 18 3 3 9 9 9 20 19 19 21 1 1 1 20 20 42 2 2 2 20 20 44 5 5 10 4 4 6 23 23 23 26 26 46 25 25 27 26 26 30 26 26 32 2 2 11 13 13 13 27 27 49 27 27 33 28 28 33 31 31 32 11 11 11 35 35 54 7 7 8</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="101">1 2 9 9 9 10 10 10 11 11 11 12 13 13 13 13 13 13 14 15 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 21 21 21 22 22 22 22 22 22 23 23 23 24 24 24 25 25 25 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 30 30 30 30 30 30 31 31 31 32 32 32 33 33 33 34 34 34 34 34 34 35 35 35</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="101">21 29 18 19 19 23 36 36 29 34 34 29 37 38 39 38 39 39 15 14 9 17 40 17 40 40 16 18 41 18 41 41 9 17 17 20 24 24 21 22 22 20 42 43 42 43 43 20 44 45 44 45 45 10 25 25 6 19 19 26 46 47 46 47 47 27 28 28 30 31 31 32 48 48 11 12 12 27 49 50 49 50 50 33 51 51 33 52 52 32 53 53 35 54 55 54 55 55 8 34 34</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="101">93.8667 100.4303 95.113 126.4565 134.0212 122.1744 118.6034 119.2221 108.1143 121.4799 130.2801 105.9263 111.075 111.267 111.9516 107.539 107.1684 107.6175 106.6734 111.1025 110.708 116.9858 109.7275 88.075 113.4144 116.3064 120.5916 116.7869 107.7413 84.7689 111.9881 113.7345 133.8164 134.8682 91.2144 118.8536 115.9299 125.1238 125.2211 121.3075 113.4654 116.841 108.5435 104.5769 110.3634 109.3356 106.5863 112.4736 106.3324 103.767 112.0783 111.6912 110.063 122.8349 122.4748 114.6826 128.4897 115.2984 116.2005 112.6973 110.4815 106.2571 112.2854 108.9033 105.785 122.7752 118.8338 118.3705 122.3313 119.7401 117.9285 121.5456 118.913 119.5413 124.2859 127.5493 108.164 111.1648 105.9272 105.29 113.943 111.6998 108.2954 121.1043 119.4308 119.4628 119.9024 119.8056 120.2911 119.3317 120.0594 120.6069 114.1532 106.7729 108.1315 110.6004 108.5411 108.4835 129.9642 113.2882 116.71</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="101">calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically</array>
                     </list>
                     <list cmlx:templateRef="dihed">
                        <array dataType="xsd:string" dictRef="g:symbol" size="143">D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="143">21 21 21 16 16 16 29 29 29 22 22 18 18 18 19 19 19 16 16 19 19 16 16 18 18 23 23 23 36 36 36 17 17 36 36 29 34 14 14 34 34 14 14 14 29 29 29 29 15 15 37 37 37 38 38 38 39 39 39 11 1 1 1 9 9 9 40 40 40 10 10 16 16 41 41 9 9 24 24 9 9 20 20 19 19 19 22 22 22 19 19 19 21 21 21 5 5 5 10 10 10 23 23 46 46 47 47 25 25 28 28 25 25 27 27 26 26 26 31 31 31 26 26 30 30 26 26 48 48 27 27 51 51 28 28 52 52 11 11 54 54 55 55</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="143">1 1 1 1 1 1 2 2 2 2 2 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 13 13 13 13 13 13 13 13 13 14 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 20 20 20 23 23 23 23 23 23 25 25 25 25 25 25 26 26 26 26 26 26 26 26 27 27 27 27 27 27 27 27 27 27 28 28 28 28 31 31 31 31 32 32 32 32 34 34 34 34 34 34</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="143">16 16 16 21 21 21 22 22 22 29 29 16 16 16 16 16 16 18 18 18 18 19 19 19 19 17 17 17 17 17 17 23 23 23 23 14 14 29 29 29 29 34 34 34 34 34 34 15 29 29 30 30 30 30 30 30 30 30 30 15 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 20 20 20 20 24 24 24 24 21 21 21 21 21 21 22 22 22 22 22 22 25 25 25 25 25 25 26 26 26 26 26 26 27 27 27 27 28 28 28 28 30 30 30 30 30 30 31 31 31 31 32 32 32 32 33 33 33 33 33 33 33 33 35 35 35 35 35 35</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="143">9 17 40 20 42 43 20 44 45 11 12 1 17 40 1 17 40 3 17 3 17 20 24 20 24 16 18 41 16 18 41 5 25 5 25 15 15 2 12 2 12 35 54 55 35 54 55 14 2 11 27 49 50 27 49 50 27 49 50 12 10 18 41 10 18 41 10 18 41 3 9 3 9 3 9 21 22 21 22 4 6 4 6 1 42 43 1 42 43 2 44 45 2 44 45 26 46 47 26 46 47 27 28 27 28 27 28 30 31 30 31 32 48 32 48 13 49 50 13 49 50 33 51 33 51 33 52 33 52 32 53 32 53 31 53 31 53 7 8 7 8 7 8</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="143">54.5601 153.3143 -71.3752 -43.7691 81.7582 -164.7676 -106.0805 16.9503 133.0445 144.6387 -35.7429 111.0281 -7.1802 -125.1273 -47.9683 -166.1766 75.8763 -169.3994 7.2276 -13.0343 163.5927 12.7253 -163.9535 -137.5083 45.813 120.6651 -138.9756 -9.5619 -59.3039 41.0554 170.4691 -0.1515 -179.1629 179.8174 0.8059 1.4328 177.7531 178.5744 -1.1072 2.6886 -176.9929 -106.9837 15.557 132.1158 68.4302 -169.0291 -52.4703 0.5651 -179.3136 0.3545 59.9211 -175.8125 -61.2023 179.6931 -56.0405 58.5697 -59.8402 64.4262 179.0364 -1.2409 12.2158 -105.9226 140.5668 124.5445 6.4061 -107.1046 -120.1831 121.6784 8.1678 48.0648 -128.5011 169.8176 -6.7483 -78.4382 104.996 3.6026 -175.4454 179.9503 0.9023 30.7763 -150.3501 -145.6669 33.2067 19.2846 -105.327 137.7412 -161.6021 73.7863 -43.1455 -87.5336 152.7179 28.6792 93.3143 -26.4343 -150.473 34.856 161.3698 -84.3374 -146.1286 -19.6148 94.678 79.0899 -99.2365 -46.4527 135.2209 -163.2663 18.4073 1.8468 -178.0665 -179.8195 0.2672 178.7819 -1.347 0.3812 -179.7477 102.0608 -17.5356 -140.654 -78.0243 162.3792 39.2608 -0.7593 178.7094 179.3236 -1.2077 -0.5499 179.7901 179.5797 -0.0803 0.5938 -179.9203 -178.8746 0.6113 0.058 -179.425 179.7164 0.2334 166.7686 -15.2385 46.3422 -135.6649 -72.5589 105.434</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="143">calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="l103" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="berny">
                     <scalar dataType="xsd:string" dictRef="g:optimization">Berny optimization.</scalar>
                  </list>
                  <module cmlx:templateRef="l103.localminsaddle">
                     <scalar cmlx:templateRef="r" dataType="xsd:string" dictRef="cc:minmaxts">local minimum</scalar>
                     <array cmlx:templateRef="junk" dataType="xsd:string" dictRef="x:junk1" size="9">Step number 1 out of a maximum of 2</array>
                     <array cmlx:templateRef="junk" dataType="xsd:string" dictRef="x:junk1" size="7">All quantities printed in internal units (Hartrees-Bohrs-Radians)</array>
                     <array cmlx:templateRef="junk" dataType="xsd:string" dictRef="x:junk1" size="9">Second derivative matrix not updated -- analytic derivatives used.</array>
                     <array cmlx:templateRef="eigenvaluelist" dataType="xsd:double" dictRef="" size="159">0.00085 0.00151 0.00154 0.00282 0.00306 0.00343 0.00404 0.00460 0.00476 0.00577 0.00584 0.00660 0.00806 0.00973 0.01106 0.01419 0.01525 0.01650 0.01682 0.01742 0.01939 0.02007 0.02168 0.02243 0.02414 0.02551 0.02681 0.02785 0.02889 0.03011 0.03081 0.03364 0.03662 0.04232 0.04282 0.04523 0.04587 0.04680 0.04840 0.04851 0.04951 0.05026 0.05085 0.05124 0.05503 0.05527 0.05638 0.05722 0.06112 0.07002 0.07024 0.07197 0.07405 0.07986 0.08029 0.08210 0.08516 0.08893 0.09277 0.09733 0.10756 0.11033 0.11985 0.12169 0.12211 0.12255 0.12441 0.12599 0.12726 0.12797 0.12890 0.13197 0.13678 0.15246 0.15540 0.15894 0.16019 0.16536 0.16883 0.17017 0.17567 0.17690 0.18620 0.18707 0.18785 0.19020 0.19134 0.19197 0.19359 0.19605 0.19830 0.20121 0.20416 0.21150 0.21760 0.21967 0.22166 0.22398 0.22543 0.23571 0.24361 0.24722 0.24949 0.25356 0.26317 0.26467 0.27012 0.28317 0.30656 0.31219 0.31436 0.31908 0.32154 0.33054 0.33172 0.33412 0.33498 0.33958 0.34047 0.34186 0.34243 0.34284 0.34532 0.34645 0.35014 0.35278 0.35302 0.35524 0.35736 0.36086 0.36152 0.36200 0.36390 0.36623 0.37438 0.38258 0.39010 0.41141 0.42130 0.43196 0.43418 0.43534 0.43932 0.44861 0.45480 0.46937 0.47015 0.47090 0.49242 0.50921 0.56173 0.58290 0.59796 0.60284 0.61770 0.75999 0.77048 0.81887 0.85399</array>
                     <array cmlx:templateRef="junk" dataType="xsd:string" dictRef="x:junk1" size="8">Angle between quadratic step and forces= 78.21 degrees.</array>
                     <list cmlx:templateRef="iterationList">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="2">1 2</array>
                        <array dataType="xsd:double" dictRef="g:rmscart" size="2">0.00000431 0.00000000</array>
                        <array dataType="xsd:double" dictRef="g:rmsint" size="2">0.00000000 0.00000000</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.deltas">
                     <list cmlx:templateRef="delta">
                        <array dataType="xsd:string" dictRef="cc:variable" size="302">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143</array>
                        <array dataType="xsd:double" dictRef="g:lastval" size="302">3.46658 3.48498 3.53909 3.32629 2.28788 2.36740 2.31756 2.38332 2.36638 2.36995 2.75902 2.61883 2.65867 2.70785 2.58695 1.91019 2.55533 2.55431 2.75255 2.56107 2.51758 2.88029 1.93544 1.93628 1.93502 2.45157 2.95454 2.06418 2.93425 2.06266 2.55899 2.91631 2.86665 2.83899 2.07189 2.06900 2.06277 2.05206 2.89889 2.86461 2.06660 2.07022 2.66643 2.64611 2.85087 2.65049 2.63485 2.05204 2.05631 2.06085 2.63205 2.05426 2.63580 2.05136 2.05051 2.96454 2.05946 2.06785 1.63828 1.75284 1.66004 2.20708 2.33911 2.13235 2.07002 2.08082 1.88695 2.12022 2.27382 1.84876 1.93863 1.94197 1.95392 1.87691 1.87044 1.87828 1.86180 1.93910 1.93222 2.04179 1.91511 1.53720 1.97946 2.02993 2.10472 2.03832 1.88044 1.47950 1.95456 1.98504 2.33554 2.35389 1.59199 2.07439 2.02336 2.18382 2.18552 2.11722 1.98034 2.03926 1.89444 1.82521 1.92620 1.90827 1.86028 1.96303 1.85585 1.81108 1.95613 1.94938 1.92096 2.14387 2.13759 2.00159 2.24257 2.01234 2.02808 1.96694 1.92827 1.85454 1.95975 1.90072 1.84630 2.14283 2.07404 2.06596 2.13508 2.08986 2.05824 2.12137 2.07542 2.08639 2.16920 2.22615 1.88782 1.94019 1.84878 1.83766 1.98868 1.94953 1.89011 2.11367 2.08446 2.08502 2.09269 2.09100 2.09948 2.08273 2.09543 2.10499 1.99235 1.86354 1.88725 1.93034 1.89440 1.89339 2.26830 1.97725 2.03697 0.95225 2.67584 -1.24573 -0.76391 1.42695 -2.87574 -1.85145 0.29584 2.32207 2.52442 -0.62383 1.93781 -0.12532 -2.18388 -0.83721 -2.90033 1.32429 -2.95658 0.12615 -0.22749 2.85523 0.22210 -2.86153 -2.39997 0.79959 2.10600 -2.42558 -0.16689 -1.03505 0.71655 2.97525 -0.00264 -3.12698 3.13840 0.01407 0.02501 3.10238 3.11671 -0.01932 0.04693 -3.08911 -1.86722 0.27152 2.30586 1.19433 -2.95011 -0.91578 0.00986 -3.12961 0.00619 1.04582 -3.06851 -1.06818 3.13624 -0.97809 1.02223 -1.04441 1.12445 3.12477 -0.02166 0.21321 -1.84870 2.45335 2.17371 0.11181 -1.86933 -2.09759 2.12369 0.14255 0.83889 -2.24277 2.96388 -0.11778 -1.36900 1.83253 0.06288 -3.06210 3.14073 0.01575 0.53715 -2.62410 -2.54237 0.57957 0.33658 -1.83830 2.40404 -2.82049 1.28781 -0.75303 -1.52775 2.66543 0.50055 1.62864 -0.46137 -2.62625 0.60835 2.81643 -1.47197 -2.55043 -0.34234 1.65244 1.38038 -1.73200 -0.81075 2.36005 -2.84953 0.32127 0.03223 -3.10785 -3.13844 0.00466 3.12033 -0.02351 0.00665 -3.13719 1.78130 -0.30605 -2.45488 -1.36178 2.83405 0.68523 -0.01325 3.11907 3.12979 -0.02108 -0.00960 3.13793 3.13426 -0.00140 0.01036 -3.14020 -3.12195 0.01067 0.00101 -3.13156 3.13664 0.00407 2.91066 -0.26596 0.80882 -2.36780 -1.26639 1.84017</array>
                        <array dataType="xsd:double" dictRef="cc:deriv" size="302">-0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000</array>
                        <array dataType="xsd:double" dictRef="cc:delta.linear" size="302">0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</array>
                        <array dataType="xsd:double" dictRef="cc:delta.quad" size="302">-0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000</array>
                        <array dataType="xsd:double" dictRef="cc:delta.total" size="302">-0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000</array>
                        <array dataType="xsd:double" dictRef="cc:newval" size="302">3.46658 3.48498 3.53909 3.32629 2.28788 2.36740 2.31756 2.38332 2.36638 2.36995 2.75902 2.61883 2.65867 2.70785 2.58695 1.91019 2.55533 2.55431 2.75255 2.56107 2.51758 2.88029 1.93544 1.93628 1.93502 2.45157 2.95454 2.06418 2.93425 2.06266 2.55899 2.91631 2.86665 2.83899 2.07189 2.06900 2.06277 2.05206 2.89889 2.86461 2.06660 2.07022 2.66643 2.64611 2.85087 2.65049 2.63485 2.05204 2.05631 2.06085 2.63205 2.05426 2.63580 2.05136 2.05051 2.96454 2.05946 2.06785 1.63828 1.75284 1.66004 2.20708 2.33911 2.13235 2.07002 2.08082 1.88695 2.12022 2.27382 1.84876 1.93863 1.94197 1.95392 1.87691 1.87044 1.87828 1.86180 1.93910 1.93222 2.04179 1.91511 1.53720 1.97946 2.02993 2.10472 2.03832 1.88044 1.47950 1.95456 1.98504 2.33554 2.35389 1.59199 2.07439 2.02336 2.18382 2.18552 2.11722 1.98034 2.03926 1.89444 1.82521 1.92620 1.90827 1.86028 1.96303 1.85585 1.81108 1.95613 1.94938 1.92096 2.14387 2.13759 2.00159 2.24257 2.01234 2.02808 1.96694 1.92827 1.85454 1.95975 1.90072 1.84630 2.14283 2.07404 2.06596 2.13508 2.08986 2.05824 2.12137 2.07542 2.08639 2.16920 2.22615 1.88782 1.94019 1.84878 1.83766 1.98868 1.94953 1.89011 2.11367 2.08446 2.08502 2.09269 2.09100 2.09948 2.08273 2.09543 2.10499 1.99235 1.86354 1.88725 1.93034 1.89440 1.89339 2.26830 1.97725 2.03697 0.95225 2.67584 -1.24573 -0.76391 1.42695 -2.87574 -1.85145 0.29584 2.32207 2.52442 -0.62383 1.93781 -0.12532 -2.18388 -0.83721 -2.90033 1.32429 -2.95658 0.12615 -0.22749 2.85523 0.22210 -2.86153 -2.39997 0.79959 2.10600 -2.42558 -0.16689 -1.03505 0.71655 2.97525 -0.00265 -3.12698 3.13840 0.01407 0.02501 3.10238 3.11671 -0.01932 0.04693 -3.08911 -1.86722 0.27152 2.30586 1.19433 -2.95011 -0.91578 0.00986 -3.12961 0.00619 1.04582 -3.06851 -1.06818 3.13624 -0.97809 1.02223 -1.04441 1.12445 3.12478 -0.02166 0.21321 -1.84870 2.45335 2.17371 0.11181 -1.86933 -2.09759 2.12369 0.14255 0.83889 -2.24277 2.96388 -0.11778 -1.36900 1.83252 0.06288 -3.06210 3.14073 0.01575 0.53715 -2.62410 -2.54237 0.57957 0.33658 -1.83830 2.40404 -2.82049 1.28781 -0.75303 -1.52775 2.66543 0.50054 1.62864 -0.46137 -2.62625 0.60835 2.81643 -1.47196 -2.55042 -0.34234 1.65244 1.38038 -1.73200 -0.81075 2.36006 -2.84953 0.32127 0.03223 -3.10785 -3.13844 0.00466 3.12033 -0.02351 0.00665 -3.13719 1.78130 -0.30606 -2.45488 -1.36178 2.83405 0.68523 -0.01325 3.11907 3.12979 -0.02108 -0.00960 3.13793 3.13426 -0.00140 0.01036 -3.14020 -3.12195 0.01067 0.00101 -3.13156 3.13664 0.00407 2.91066 -0.26596 0.80882 -2.36780 -1.26639 1.84017</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.itemconverge">
                     <list cmlx:templateRef="row">
                        <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">|Maximum Force|RMS     Force|Maximum Displacement|RMS     Displacement|</array>
                        <array dataType="xsd:double" dictRef="g:value" size="4">0.000000 0.000000 0.000015 0.000004</array>
                        <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000015 0.000010 0.000060 0.000040</array>
                        <array dataType="xsd:string" dictRef="g:converged" size="4">YES YES YES YES</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="preddelta">
                     <list cmlx:templateRef="predicted">
                        <scalar dataType="xsd:double" dictRef="g:predchange">-1.475859e-12</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.optimizedparam">
                     <list cmlx:templateRef="completed">
                        <scalar dataType="xsd:string" dictRef="g:optimization">Optimization completed.</scalar>
                        <scalar dataType="xsd:string" dictRef="g:optimization">-- Stationary point found.</scalar>
                     </list>
                     <list cmlx:templateRef="length">
                        <array dataType="xsd:string" dictRef="g:symbol" size="58">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="58">1 1 2 2 3 4 5 6 7 8 9 9 9 10 10 10 11 11 11 12 12 13 13 13 13 14 16 16 17 17 19 19 20 20 21 21 22 22 23 25 25 25 26 26 27 27 28 28 30 30 31 31 32 32 33 34 34 34</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="58">16 21 22 29 18 24 23 24 35 35 16 18 19 17 23 36 14 29 34 15 29 30 37 38 39 15 17 40 18 41 20 24 21 22 42 43 44 45 25 26 46 47 27 28 30 31 32 48 49 50 33 51 33 52 53 35 54 55</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="58">1.8344 1.8442 1.8728 1.7602 1.2107 1.2528 1.2264 1.2612 1.2522 1.2541 1.46 1.3858 1.4069 1.4329 1.369 1.0108 1.3522 1.3517 1.4566 1.3553 1.3322 1.5242 1.0242 1.0246 1.024 1.2973 1.5635 1.0923 1.5527 1.0915 1.3542 1.5432 1.517 1.5023 1.0964 1.0949 1.0916 1.0859 1.534 1.5159 1.0936 1.0955 1.411 1.4003 1.5086 1.4026 1.3943 1.0859 1.0882 1.0906 1.3928 1.0871 1.3948 1.0855 1.0851 1.5688 1.0898 1.0943</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="58">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0</array>
                     </list>
                     <list cmlx:templateRef="angle">
                        <array dataType="xsd:string" dictRef="g:symbol" size="101">A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="101">16 22 16 16 18 17 17 23 14 14 29 15 30 30 30 37 37 38 11 12 1 1 1 9 9 17 10 10 10 16 16 18 3 3 9 9 9 20 19 19 21 1 1 1 20 20 42 2 2 2 20 20 44 5 5 10 4 4 6 23 23 23 26 26 46 25 25 27 26 26 30 26 26 32 2 2 11 13 13 13 27 27 49 27 27 33 28 28 33 31 31 32 11 11 11 35 35 54 7 7 8</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="101">1 2 9 9 9 10 10 10 11 11 11 12 13 13 13 13 13 13 14 15 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 21 21 21 22 22 22 22 22 22 23 23 23 24 24 24 25 25 25 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 30 30 30 30 30 30 31 31 31 32 32 32 33 33 33 34 34 34 34 34 34 35 35 35</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="101">21 29 18 19 19 23 36 36 29 34 34 29 37 38 39 38 39 39 15 14 9 17 40 17 40 40 16 18 41 18 41 41 9 17 17 20 24 24 21 22 22 20 42 43 42 43 43 20 44 45 44 45 45 10 25 25 6 19 19 26 46 47 46 47 47 27 28 28 30 31 31 32 48 48 11 12 12 27 49 50 49 50 50 33 51 51 33 52 52 32 53 53 35 54 55 54 55 55 8 34 34</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="101">93.8667 100.4303 95.113 126.4565 134.0212 122.1744 118.6034 119.2221 108.1143 121.4799 130.2801 105.9263 111.075 111.267 111.9516 107.539 107.1684 107.6175 106.6734 111.1025 110.708 116.9858 109.7275 88.075 113.4144 116.3064 120.5916 116.7869 107.7413 84.7689 111.9881 113.7345 133.8164 134.8682 91.2144 118.8536 115.9299 125.1238 125.2211 121.3075 113.4654 116.841 108.5435 104.5769 110.3634 109.3356 106.5863 112.4736 106.3324 103.767 112.0783 111.6912 110.063 122.8349 122.4748 114.6826 128.4897 115.2984 116.2005 112.6973 110.4815 106.2571 112.2854 108.9033 105.785 122.7752 118.8338 118.3705 122.3313 119.7401 117.9285 121.5456 118.913 119.5413 124.2859 127.5493 108.164 111.1648 105.9272 105.29 113.943 111.6998 108.2954 121.1043 119.4308 119.4628 119.9024 119.8056 120.2911 119.3317 120.0594 120.6069 114.1532 106.7729 108.1315 110.6004 108.5411 108.4835 129.9642 113.2882 116.71</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="101">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0</array>
                     </list>
                     <list cmlx:templateRef="dihed">
                        <array dataType="xsd:string" dictRef="g:symbol" size="142">D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="142">21 21 21 16 16 16 29 29 29 22 22 18 18 18 19 19 19 16 16 19 19 16 16 18 18 23 23 23 36 36 36 17 17 36 36 29 34 14 14 34 34 14 14 14 29 29 29 29 15 15 37 37 37 38 38 38 39 39 39 11 1 1 1 9 9 9 40 40 40 10 10 16 16 41 41 9 9 24 24 9 9 20 20 19 19 19 22 22 22 19 19 19 21 21 21 5 5 5 10 10 10 23 23 46 46 47 47 25 25 28 28 25 25 27 27 26 26 26 31 31 31 26 26 30 30 26 26 48 48 27 27 51 51 28 28 52 52 11 11 54 54 55</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="142">1 1 1 1 1 1 2 2 2 2 2 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 13 13 13 13 13 13 13 13 13 14 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 20 20 20 23 23 23 23 23 23 25 25 25 25 25 25 26 26 26 26 26 26 26 26 27 27 27 27 27 27 27 27 27 27 28 28 28 28 31 31 31 31 32 32 32 32 34 34 34 34 34</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="142">16 16 16 21 21 21 22 22 22 29 29 16 16 16 16 16 16 18 18 18 18 19 19 19 19 17 17 17 17 17 17 23 23 23 23 14 14 29 29 29 29 34 34 34 34 34 34 15 29 29 30 30 30 30 30 30 30 30 30 15 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 20 20 20 20 24 24 24 24 21 21 21 21 21 21 22 22 22 22 22 22 25 25 25 25 25 25 26 26 26 26 26 26 27 27 27 27 28 28 28 28 30 30 30 30 30 30 31 31 31 31 32 32 32 32 33 33 33 33 33 33 33 33 35 35 35 35 35</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="142">9 17 40 20 42 43 20 44 45 11 12 1 17 40 1 17 40 3 17 3 17 20 24 20 24 16 18 41 16 18 41 5 25 5 25 15 15 2 12 2 12 35 54 55 35 54 55 14 2 11 27 49 50 27 49 50 27 49 50 12 10 18 41 10 18 41 10 18 41 3 9 3 9 3 9 21 22 21 22 4 6 4 6 1 42 43 1 42 43 2 44 45 2 44 45 26 46 47 26 46 47 27 28 27 28 27 28 30 31 30 31 32 48 32 48 13 49 50 13 49 50 33 51 33 51 33 52 33 52 32 53 32 53 31 53 31 53 7 8 7 8 7</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="142">54.5601 153.3143 -71.3752 -43.7691 81.7582 -164.7676 -106.0805 16.9503 133.0445 144.6387 -35.7429 111.0281 -7.1802 -125.1273 -47.9683 -166.1766 75.8763 -169.3994 7.2276 -13.0343 163.5927 12.7253 -163.9535 -137.5083 45.813 120.6651 -138.9756 -9.5619 -59.3039 41.0554 170.4691 -0.1515 -179.1629 179.8174 0.8059 1.4328 177.7531 178.5744 -1.1072 2.6886 -176.9929 -106.9837 15.557 132.1158 68.4302 -169.0291 -52.4703 0.5651 -179.3136 0.3545 59.9211 -175.8125 -61.2023 179.6931 -56.0405 58.5697 -59.8402 64.4262 179.0364 -1.2409 12.2158 -105.9226 140.5668 124.5445 6.4061 -107.1046 -120.1831 121.6784 8.1678 48.0648 -128.5011 169.8176 -6.7483 -78.4382 104.996 3.6026 -175.4454 179.9503 0.9023 30.7763 -150.3501 -145.6669 33.2067 19.2846 -105.327 137.7412 -161.6021 73.7863 -43.1455 -87.5336 152.7179 28.6792 93.3143 -26.4343 -150.473 34.856 161.3698 -84.3374 -146.1286 -19.6148 94.678 79.0899 -99.2365 -46.4527 135.2209 -163.2663 18.4073 1.8468 -178.0665 -179.8195 0.2672 178.7819 -1.347 0.3812 -179.7477 102.0608 -17.5356 -140.654 -78.0243 162.3792 39.2608 -0.7593 178.7094 179.3236 -1.2077 -0.5499 179.7901 179.5797 -0.0803 0.5938 -179.9203 -178.8746 0.6113 0.058 -179.425 179.7164 0.2334 166.7686 -15.2385 46.3422 -135.6649 -72.5589</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="142">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0</array>
                     </list>
                  </module>
                  <scalar dictRef="l103.converged.count">1</scalar>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.basis">
                     <scalar dataType="xsd:string" dictRef="cc:basis">6-31G(d,p)</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:diffuse">(6D, 7F)</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:natoms">55</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">55</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">55</scalar>
                     <scalar dataType="xsd:double" dictRef="g:sfac">1.00e+00</scalar>
                     <scalar dataType="xsd:integer" dictRef="g:natfmm">60</scalar>
                     <scalar dataType="xsd:string" dictRef="g:big">F</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.1772425 0.0391879 0.0375319</array>
                  </module>
               </module>
               <module cmlx:templateRef="l50X">
                  <scalar dataType="xsd:integer" dictRef="cc:ncycle">1</scalar>
                  <scalar dataType="xsd:double" dictRef="g:rbhflyp" units="nonsi:hartree">-2405.29138394</scalar>
               </module>
               <module cmlx:templateRef="l1102">
                  <list cmlx:templateRef="l1102">
                     <scalar dataType="xsd:string" dictRef="g:l1102">Symmetrizing basis deriv contribution to polar:</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1102">IMax=3 JMax=2 DiffMx= 0.00D+00</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l1002.minotr">
                  <list cmlx:templateRef="l1002">
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">IDoAtm=11111111111111111111111111111111111111111111111111</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">IDoAtm=11111</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">NEqPCM:  Using equilibrium solvation (IEInf=0, Eps=  78.3553, EpsInf=   1.7778)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">Differentiating once with respect to electric field.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">with respect to dipole field.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">Differentiating once with respect to nuclear coordinates.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu exits because no D1Ps are significant.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">There are   168 degrees of freedom in the 1st order CPHF.  IDoFFX=6 NUNeed=     3.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">165 vectors produced by pass  0 Test12= 6.72D-14 1.00D-09 XBig12= 3.64D+02 5.93D+00.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">AX will form   165 AO Fock derivatives at one time.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">165 vectors produced by pass  1 Test12= 6.72D-14 1.00D-09 XBig12= 7.88D+01 1.17D+00.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">165 vectors produced by pass  2 Test12= 6.72D-14 1.00D-09 XBig12= 7.61D-01 1.03D-01.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">165 vectors produced by pass  3 Test12= 6.72D-14 1.00D-09 XBig12= 6.32D-03 9.10D-03.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">165 vectors produced by pass  4 Test12= 6.72D-14 1.00D-09 XBig12= 1.65D-05 5.80D-04.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">138 vectors produced by pass  5 Test12= 6.72D-14 1.00D-09 XBig12= 2.70D-08 1.26D-05.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">49 vectors produced by pass  6 Test12= 6.72D-14 1.00D-09 XBig12= 3.59D-11 4.51D-07.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">3 vectors produced by pass  7 Test12= 6.72D-14 1.00D-09 XBig12= 3.89D-14 1.79D-08.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">InvSVY:  IOpt=1 It=  1 EMax= 2.49D-14</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">Solved reduced A of dimension  1015 with   168 vectors.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">Isotropic polarizability for W=    0.000000      402.87 Bohr**3.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">End of Minotr F.D. properties file   721 does not exist.</scalar>
                  </list>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:jobtime">
                  <scalar dataType="xsd:string">PT13493S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:date">2021-10-17T19:17:07.000</scalar>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal">
                     <array dataType="xsd:double" dictRef="g:alphaocc" size="130">-19.06779 -19.06492 -19.06359 -14.47835 -14.42804 -14.39630 -14.38716 -14.38093 -14.37999 -14.35342 -10.30716 -10.30152 -10.27803 -10.27256 -10.26236 -10.25689 -10.25472 -10.24971 -10.22601 -10.22163 -10.22081 -10.22056 -10.21772 -10.21621 -10.21353 -10.20783 -10.20404 -10.20337 -10.20197 -10.20135 -7.95390 -7.94378 -5.91933 -5.91507 -5.90879 -5.90854 -5.90569 -5.89836 -1.12787 -1.05672 -1.04884 -1.02049 -1.00195 -1.00004 -0.98335 -0.94192 -0.93716 -0.91377 -0.91280 -0.88711 -0.87771 -0.83567 -0.80422 -0.79564 -0.78922 -0.78025 -0.74202 -0.73340 -0.71953 -0.70701 -0.68664 -0.66893 -0.64539 -0.62659 -0.62231 -0.61345 -0.60263 -0.59880 -0.59524 -0.58942 -0.57790 -0.55232 -0.52611 -0.52470 -0.51321 -0.50360 -0.50271 -0.50026 -0.49251 -0.49124 -0.47647 -0.47187 -0.46776 -0.46016 -0.45214 -0.45137 -0.44039 -0.43379 -0.43057 -0.42890 -0.42667 -0.42488 -0.42145 -0.41706 -0.40850 -0.40748 -0.40156 -0.39761 -0.39206 -0.37936 -0.37840 -0.37581 -0.37260 -0.37120 -0.36607 -0.36141 -0.35523 -0.35245 -0.34775 -0.34585 -0.33145 -0.31392 -0.30952 -0.29981 -0.29483 -0.29025 -0.28527 -0.27460 -0.26667 -0.25930 -0.25889 -0.24191 -0.23904 -0.22706 -0.22523 -0.22201 -0.21806 -0.21312 -0.20971 -0.20604</array>
                     <array dataType="xsd:double" dictRef="g:alphavirt" size="498">-0.03490 -0.03027 -0.01950 -0.00538 0.00674 0.01301 0.02454 0.03193 0.03339 0.05267 0.06225 0.07473 0.07817 0.07914 0.09014 0.09249 0.09970 0.10335 0.10558 0.11384 0.12193 0.12377 0.12837 0.12907 0.14187 0.14543 0.14993 0.15802 0.16137 0.16286 0.16490 0.16868 0.17600 0.17812 0.18472 0.18657 0.19273 0.20378 0.21173 0.21264 0.22166 0.22552 0.23262 0.23473 0.24807 0.25330 0.26726 0.26978 0.27215 0.29194 0.29898 0.30369 0.31377 0.31685 0.31892 0.32593 0.33097 0.33359 0.33771 0.34962 0.35641 0.36808 0.37543 0.37958 0.38535 0.39355 0.39763 0.40666 0.41539 0.41827 0.44664 0.45319 0.45720 0.46409 0.47087 0.48676 0.49009 0.49617 0.50547 0.50981 0.51925 0.52576 0.52840 0.53124 0.53654 0.53933 0.54328 0.54873 0.55661 0.55716 0.56767 0.57114 0.58028 0.58278 0.58475 0.59040 0.59093 0.59753 0.60234 0.60297 0.60460 0.60749 0.61505 0.62152 0.62445 0.63077 0.63328 0.64230 0.64613 0.64876 0.65190 0.65570 0.66079 0.66627 0.67266 0.67311 0.67760 0.68294 0.69158 0.69930 0.70455 0.70794 0.71802 0.72365 0.72696 0.73206 0.73329 0.74174 0.74543 0.74915 0.75371 0.76608 0.76957 0.77803 0.78296 0.78485 0.78928 0.79741 0.80440 0.80651 0.81424 0.81604 0.82226 0.83103 0.83344 0.83473 0.83750 0.84410 0.84699 0.85104 0.85526 0.85763 0.86341 0.86636 0.87053 0.87789 0.88383 0.89027 0.89130 0.89495 0.90241 0.90305 0.90708 0.91779 0.92057 0.92329 0.92855 0.93216 0.93234 0.93899 0.94367 0.94998 0.95520 0.95769 0.97047 0.97455 0.97799 0.98598 0.99189 1.00509 1.00766 1.01176 1.02090 1.02499 1.02755 1.03459 1.04184 1.04960 1.05548 1.05816 1.06326 1.07502 1.07912 1.09209 1.09653 1.10253 1.10876 1.11664 1.11860 1.13127 1.13594 1.14250 1.14833 1.15575 1.16196 1.17940 1.18833 1.19369 1.21896 1.22134 1.22518 1.23012 1.23820 1.25623 1.26502 1.27310 1.28169 1.28814 1.29356 1.31853 1.33665 1.33981 1.34974 1.35326 1.36029 1.37539 1.38710 1.39420 1.39741 1.40389 1.40662 1.41622 1.42923 1.43202 1.44222 1.46104 1.47548 1.47898 1.48881 1.50385 1.51543 1.51690 1.51807 1.52853 1.53601 1.55847 1.56463 1.57188 1.58032 1.59771 1.60318 1.61602 1.62338 1.63104 1.66040 1.67063 1.67168 1.67804 1.68948 1.69242 1.72010 1.73152 1.73485 1.74252 1.74772 1.75155 1.75275 1.76390 1.76587 1.77266 1.77434 1.78287 1.79067 1.79518 1.81171 1.82292 1.82628 1.84174 1.84768 1.85136 1.85365 1.85814 1.86288 1.87105 1.87469 1.87714 1.87950 1.88490 1.88912 1.89840 1.90115 1.90745 1.91119 1.92783 1.92896 1.93200 1.93498 1.94312 1.94863 1.95172 1.95697 1.96120 1.96497 1.96897 1.97917 1.98570 1.99021 1.99695 2.00059 2.00415 2.02243 2.03333 2.04267 2.05240 2.06201 2.07411 2.07509 2.07766 2.08699 2.09746 2.10284 2.10692 2.11091 2.12340 2.13573 2.13974 2.14723 2.16169 2.16886 2.17104 2.17477 2.17638 2.18770 2.19583 2.20887 2.21649 2.22448 2.22922 2.23342 2.24551 2.25443 2.26188 2.26376 2.27022 2.27798 2.28410 2.29392 2.30003 2.30245 2.30793 2.32225 2.33000 2.33817 2.34314 2.34781 2.35795 2.36801 2.37404 2.37984 2.38110 2.39598 2.40342 2.41339 2.42015 2.42924 2.43376 2.43754 2.44057 2.45077 2.45626 2.47323 2.48293 2.49003 2.49379 2.51052 2.51795 2.52987 2.54140 2.54957 2.55606 2.56047 2.56406 2.57321 2.57622 2.58016 2.59339 2.61355 2.62462 2.62662 2.63449 2.63870 2.64279 2.65631 2.65799 2.67270 2.68012 2.68992 2.70276 2.70996 2.71847 2.72398 2.73018 2.73781 2.74158 2.74612 2.75388 2.75765 2.76278 2.77828 2.77906 2.79406 2.80253 2.81327 2.83056 2.85000 2.87106 2.88064 2.88493 2.89044 2.89243 2.89510 2.91247 2.93426 2.94364 2.94526 2.95340 2.97543 2.98054 3.00598 3.01523 3.02657 3.03181 3.04678 3.05438 3.08053 3.10904 3.12732 3.13063 3.14351 3.18017 3.18983 3.22249 3.23142 3.26054 3.26980 3.27863 3.29623 3.30954 3.31684 3.31917 3.34096 3.35379 3.35803 3.38292 3.44127 3.44818 3.45235 3.45805 3.47041 3.49081 3.51271 3.52351 3.53938 3.70046 3.84067 3.85292 3.89778 3.93569 3.96920 3.99051 4.03105 4.06324 4.12646 4.12759 4.13824 4.16201 4.17934 4.18361 4.20595 4.22802 4.26250 4.29836 4.31918 4.34738 4.37339 4.39892 4.40977 4.43908 4.48144 4.49567 4.50843 4.53477 4.61511 4.63454 4.67801 4.71611 4.83034 4.95380</array>
                     <module cmlx:templateRef="mulliken">
                        <module cmlx:templateRef="l601.mullik">
                           <scalar dataType="xsd:string" dictRef="g:title">Mulliken charges:</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
                           <list cmlx:templateRef="row">
                              <array dataType="xsd:integer" dictRef="cc:serial" size="55">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55</array>
                              <array dataType="xsd:string" dictRef="cc:elementType" size="55">S S O O O O O O N N N N N N N C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H</array>
                              <array dataType="xsd:double" dictRef="x:charge" size="55">0.065194 0.139778 -0.510699 -0.634739 -0.543987 -0.625774 -0.643693 -0.624861 -0.483548 -0.512830 -0.258233 -0.382897 -0.512999 -0.104766 -0.144764 -0.064401 -0.058035 0.576506 0.212801 0.057855 -0.400174 -0.383904 0.603340 0.484722 -0.377358 0.122030 0.063202 -0.133163 0.304077 -0.184644 -0.120704 -0.086500 -0.093827 -0.164380 0.530785 0.300876 0.378592 0.383951 0.380196 0.166757 0.174117 0.167812 0.162084 0.156763 0.163574 0.138131 0.173460 0.113731 0.182980 0.202950 0.120832 0.117192 0.117387 0.139658 0.149545</array>
                           </list>
                           <scalar dataType="xsd:double" dictRef="x:chargesum">-1.00000</scalar>
                        </module>
                     </module>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l601.mullik">
                     <scalar dataType="xsd:string" dictRef="g:title">Mulliken charges with hydrogens summed into heavy atoms:</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
                     <list cmlx:templateRef="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="35">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="35">S S O O O O O O N N N N N N N C C C C C C C C C C C C C C C C C C C C</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="35">0.065194 0.139778 -0.510699 -0.634739 -0.543987 -0.625774 -0.643693 -0.624861 -0.483548 -0.211954 -0.258233 -0.382897 0.629740 -0.104766 -0.144764 0.102357 0.116082 0.576506 0.212801 0.057855 -0.070278 -0.063567 0.603340 0.484722 -0.065767 0.122030 0.063202 -0.019432 0.304077 0.201286 0.000128 0.030691 0.023560 0.124823 0.530785</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">-1.00000</scalar>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l601.polariz">
                     <array dataType="xsd:double" dictRef="g:l601.pol.exact" size="6">478.969 -3.901 334.514 36.352 -28.489 395.114</array>
                     <array dataType="xsd:double" dictRef="g:l601.pol.approx" size="6">524.343 -3.110 420.595 52.659 -38.915 481.442</array>
                  </module>
               </property>
               <property dictRef="cc:frequencies">
                  <module cmlx:templateRef="l716.forcematrix">
                     <module cmlx:templateRef="lowfreq">
                        <array cmlx:templateRef="lowfreq" dataType="xsd:double" dictRef="g:1716.lowfreq" size="9">-0.0014 0.0013 0.0020 3.3896 5.2920 8.7965 11.9315 14.5468 18.4428</array>
                     </module>
                     <module cmlx:templateRef="l716.freq.chunkx" dictRef="cc:vibrations" id="default">
                        <array dataType="xsd:integer" dictRef="x:serial" size="159">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="cc:irrep" size="159">A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A</array>
                        <array dataType="xsd:double" dictRef="cc:frequency" size="159">9.6347 13.7862 18.3566 24.3605 25.0160 31.4793 39.9134 44.7170 49.5097 66.3308 69.2823 78.3101 84.5999 97.1028 102.9498 108.8427 113.2308 120.6873 131.5406 153.2523 161.4239 175.7342 195.0268 221.4545 235.4893 246.0225 252.4788 271.9288 277.3879 294.8776 313.1715 337.8485 341.8736 348.8982 369.8642 376.0240 390.1109 415.1642 422.9013 439.4166 474.1537 475.7354 481.3110 494.3046 496.9686 522.6988 542.3572 565.9028 566.7448 590.7360 597.4664 601.5326 625.7216 666.6955 679.1576 692.9128 707.2802 721.0213 729.9033 732.8414 745.5884 750.6672 779.0777 782.5508 798.3689 805.1011 810.3271 821.9496 855.0227 872.3749 879.3800 881.3601 893.2385 898.1867 913.2115 927.2593 943.6539 951.5457 963.7799 969.3785 998.4607 1008.4763 1016.6991 1027.3470 1063.4850 1071.7768 1080.7237 1094.9345 1110.1961 1123.4458 1124.8538 1139.7162 1163.1888 1175.1201 1192.0022 1201.3240 1204.1816 1205.5230 1213.7612 1215.8186 1236.7523 1244.9920 1260.7326 1266.2620 1280.4708 1285.4521 1299.6706 1307.7432 1311.7584 1321.2542 1327.0355 1342.0651 1350.3712 1369.6254 1372.9717 1374.3351 1377.1688 1395.7029 1424.8254 1429.5712 1444.1454 1457.9005 1467.3341 1477.0311 1479.7929 1493.4278 1522.5218 1531.4474 1539.7926 1548.0121 1633.1583 1657.8483 1663.6376 1674.0344 1675.6468 1711.4385 1740.3969 1757.8260 1840.7208 3046.3978 3066.4210 3082.2483 3098.0601 3102.8442 3107.0316 3108.6728 3128.4342 3135.0072 3161.0568 3179.1952 3191.3264 3198.7642 3199.5592 3203.3406 3216.2024 3426.5653 3519.6316 3524.6830 3627.4294</array>
                        <array dataType="xsd:double" dictRef="cc:redmass" size="159">5.0748 7.7409 10.0427 6.9524 11.4059 6.6627 9.0486 6.8832 9.3585 12.2976 7.4043 6.5512 9.0700 9.8136 12.4620 4.2355 6.0414 8.3775 3.3076 8.9073 6.4224 4.3071 5.0037 3.9730 10.0170 5.9542 7.8517 1.1091 6.0681 6.9181 6.3716 3.7072 2.3251 8.1442 3.0911 6.6533 5.3530 3.0372 4.6225 4.9758 1.8110 3.0314 4.0479 6.2008 6.4709 4.4631 5.2037 3.4856 3.1796 6.3709 4.9959 2.6297 4.5860 6.0903 6.7383 5.1737 8.7895 3.7062 4.6008 12.3677 4.0834 5.5652 1.7818 3.3451 9.7383 4.1820 6.3536 7.3690 2.5958 2.1726 6.5763 1.3853 1.9499 1.9658 2.7922 4.1154 2.4569 3.0831 3.0109 1.3897 3.8218 1.3002 5.3501 8.5106 1.8283 5.3516 1.8959 1.5575 5.0388 3.4645 5.6000 1.7321 1.7306 2.1288 1.1098 1.1594 1.5554 4.0955 1.7476 1.9253 1.9587 1.3373 2.2205 1.4466 1.2286 2.3858 1.2410 1.3612 2.3371 5.1196 1.6574 1.4923 2.1448 6.2858 1.5778 11.7808 1.9087 4.7068 1.3230 7.8943 1.6484 1.0941 1.1418 1.1131 2.2577 2.1899 1.0920 1.2117 2.2950 1.8467 5.9968 3.9762 1.1224 8.6112 1.0528 11.9502 12.0150 9.0191 12.9066 1.0627 1.0614 1.0638 1.1004 1.0878 1.1028 1.0643 1.0649 1.0840 1.1013 1.0894 1.0881 1.1044 1.1028 1.0923 1.0978 1.0310 1.0934 1.0931 1.0786</array>
                        <array dataType="xsd:double" dictRef="cc:forceconst" size="159">0.0003 0.0009 0.0020 0.0024 0.0042 0.0039 0.0085 0.0081 0.0135 0.0319 0.0209 0.0237 0.0382 0.0545 0.0778 0.0296 0.0456 0.0719 0.0337 0.1233 0.0986 0.0784 0.1121 0.1148 0.3273 0.2123 0.2949 0.0483 0.2751 0.3544 0.3682 0.2493 0.1601 0.5841 0.2491 0.5543 0.4800 0.3084 0.4871 0.5661 0.2399 0.4042 0.5525 0.8927 0.9416 0.7184 0.9019 0.6577 0.6017 1.3099 1.0507 0.5606 1.0579 1.5949 1.8312 1.4636 2.5906 1.1352 1.4442 3.9134 1.3374 1.8477 0.6372 1.2069 3.6571 1.5971 2.4580 2.9333 1.1181 0.9742 2.9963 0.6340 0.9166 0.9344 1.3719 2.0848 1.2890 1.6448 1.6478 0.7694 2.2448 0.7791 3.2583 5.2923 1.2183 3.6220 1.3047 1.1002 3.6591 2.5763 4.1747 1.3256 1.3796 1.7320 0.9291 0.9858 1.3289 3.5068 1.5169 1.6768 1.7651 1.2213 2.0794 1.3666 1.1869 2.3227 1.2351 1.3716 2.3694 5.2657 1.7197 1.5836 2.3043 6.9473 1.7524 13.1102 2.1328 5.4020 1.5825 9.5055 2.0256 1.3702 1.4485 1.4307 2.9129 2.8776 1.4915 1.6744 3.2060 2.6073 9.4238 6.4389 1.8303 14.2181 1.7417 20.6228 21.4423 16.4197 25.7656 5.8108 5.8804 5.9545 6.2226 6.1705 6.2724 6.0597 6.1404 6.2772 6.4837 6.4876 6.5292 6.6577 6.6519 6.6040 6.6907 7.1323 7.9807 8.0013 8.3617</array>
                        <array dataType="xsd:double" dictRef="cc:irintensity" size="159">22.4082 4.8632 2.6341 7.6510 5.3079 16.4409 9.2880 6.6956 4.9815 11.3139 23.6059 9.8226 14.8459 13.8947 3.7228 8.3930 2.3030 13.1025 23.2800 1.7448 0.4477 6.2930 9.6310 4.4684 1.6651 9.8757 10.1032 1.5047 11.6695 11.9017 6.5512 11.5870 4.6389 14.4093 11.8229 4.5498 19.0109 6.8747 4.2905 10.1093 62.0808 34.1683 44.8738 21.6916 27.4936 3.7966 2.4077 11.9741 13.3107 9.6923 7.1750 11.0739 11.4499 36.0366 22.2064 11.1673 27.9629 20.2919 22.7814 5.5084 12.7729 55.0854 51.1725 17.3263 36.5855 9.5881 32.9889 21.6047 5.0098 10.1714 77.2461 15.2830 14.2111 5.4498 26.4676 9.5515 6.1010 16.2180 8.4222 1.5525 10.3064 0.1772 57.4837 13.3536 25.0429 85.6479 13.8060 32.2705 13.5791 141.1626 31.8533 26.8802 9.9261 44.2007 0.6174 2.6465 58.1554 71.3816 19.4763 39.1131 73.9168 11.5082 116.1303 26.4122 94.8561 15.0220 41.7158 16.6992 101.6557 60.1935 5.8082 78.6849 3.8145 375.2054 57.8583 395.2562 93.0691 367.0379 59.9870 53.6635 34.7466 12.7281 20.8040 17.0414 38.2649 11.1748 4.0891 199.2503 45.4000 546.9389 2.8535 14.9886 75.7850 194.8224 49.3010 621.5069 743.5710 385.7758 1115.0070 37.3281 21.0904 20.6991 8.2784 36.6643 16.8398 10.9577 6.1359 18.3056 9.9877 13.2710 3.9813 2.0912 1.5151 23.2935 22.7865 54.1682 130.0712 129.1490 66.2134</array>
                        <array dataType="xsd:double" dictRef="cc:displacement" size="26235">0.00 -0.06 0.02 -0.03 0.02 -0.02 -0.04 -0.04 0.03 -0.03 -0.01 0.00 -0.01 -0.07 0.04 -0.04 0.01 -0.01 -0.09 0.04 -0.02 -0.06 0.05 -0.02 -0.01 -0.04 0.01 -0.01 -0.07 0.05 -0.04 0.03 -0.02 -0.00 0.04 -0.02 0.21 0.03 0.16 -0.03 0.04 -0.02 -0.01 0.04 -0.02 -0.00 -0.05 0.02 -0.01 -0.06 0.03 -0.03 -0.04 0.03 -0.02 -0.02 0.00 -0.00 -0.02 -0.01 0.01 -0.04 -0.00 -0.00 0.01 -0.02 -0.01 -0.07 0.05 -0.03 -0.00 -0.00 -0.01 -0.08 0.07 0.02 -0.02 -0.00 0.11 0.04 0.00 -0.05 -0.02 -0.08 -0.02 0.03 -0.02 0.19 0.05 0.08 0.13 0.10 -0.07 -0.02 0.03 -0.15 0.07 0.09 -0.14 -0.06 0.03 -0.02 -0.07 0.04 -0.02 -0.00 -0.08 0.06 0.23 0.06 0.14 0.25 0.05 0.21 0.18 -0.02 0.18 0.01 -0.05 0.01 -0.01 -0.06 0.04 0.02 -0.04 -0.01 0.01 -0.03 -0.00 0.01 0.01 -0.03 -0.00 0.02 -0.02 0.03 -0.10 0.14 -0.08 -0.13 0.06 -0.12 -0.07 -0.09 0.17 0.02 0.12 0.25 0.10 0.06 0.20 0.14 -0.06 -0.08 0.03 -0.21 0.08 0.13 -0.20 -0.07 0.03 -0.02 -0.06 0.01 -0.02 -0.01 0.06 0.06 0.00 0.02 0.00 -0.06 0.04 0.07 -0.06 0.05 0.05 -0.04 -0.03 0.03 -0.05 0.04 0.03 0.21 -0.03 -0.02 0.13 -0.05 -0.05 -0.03 0.05 0.06 -0.06 0.01 0.07 0.14 -0.03 -0.03 0.06 -0.03 -0.06 -0.03 0.01 0.08 0.18 -0.05 -0.06 0.13 -0.06 -0.08 -0.02 0.04 0.07 -0.03 0.02 0.07 -0.04 0.04 0.07 -0.03 0.05 0.05 -0.02 0.05 0.04 -0.01 0.07 0.05 -0.03 0.03 0.02 -0.06 -0.02 0.04 -0.05 0.05 0.04 -0.11 -0.02 0.02 -0.10 -0.04 -0.05 -0.06 -0.02 -0.05 -0.14 -0.08 -0.11 0.07 -0.02 -0.03 -0.02 0.02 0.01 -0.05 -0.04 -0.12 -0.13 -0.10 -0.18 -0.09 -0.09 -0.18 0.18 -0.02 -0.01 0.17 -0.04 -0.03 -0.08 0.02 0.08 -0.02 0.01 0.07 0.00 0.04 0.13 -0.06 -0.03 0.11 0.00 0.04 0.07 -0.01 0.01 0.07 0.01 0.07 0.06 -0.00 0.08 0.03 -0.03 0.03 0.02 -0.05 0.02 0.02 -0.11 -0.02 0.05 -0.16 -0.02 0.02 -0.17 -0.10 -0.11 -0.02 0.02 0.03 0.02 0.06 -0.01 -0.02 -0.03 -0.12 -0.16 -0.14 -0.23 -0.08 -0.10 -0.23 0.23 -0.03 -0.01 0.17 0.02 0.02 0.02 0.06 0.01 -0.03 0.05 0.01 -0.07 -0.13 -0.05 -0.02 -0.11 0.02 0.00 0.01 0.10 -0.07 0.02 -0.02 -0.21 0.05 0.26 -0.18 0.15 0.02 -0.02 -0.04 0.02 0.00 0.01 0.00 0.08 -0.08 0.02 0.21 -0.05 -0.18 -0.02 0.01 -0.13 0.20 -0.13 -0.06 0.27 -0.11 -0.18 0.00 -0.00 0.05 -0.01 -0.03 0.04 -0.04 -0.08 -0.00 -0.02 -0.03 0.01 -0.00 0.01 0.01 0.02 0.04 0.01 -0.00 0.03 -0.01 0.01 0.03 0.03 -0.04 -0.04 0.00 0.02 0.08 -0.04 0.02 0.06 -0.03 -0.00 0.02 -0.06 0.03 0.08 -0.01 0.09 -0.03 -0.05 -0.02 -0.00 -0.09 -0.01 -0.00 -0.05 0.03 0.06 -0.00 0.01 0.02 -0.02 -0.03 -0.08 0.16 -0.15 0.06 0.14 0.01 0.03 -0.06 -0.02 -0.00 -0.14 -0.03 -0.01 -0.15 -0.01 0.04 -0.14 0.01 0.00 0.09 -0.02 -0.05 0.09 0.02 0.05 0.04 0.02 0.06 -0.01 0.01 0.02 -0.03 -0.01 0.04 -0.02 0.02 0.08 -0.11 0.04 0.15 -0.02 0.05 0.11 0.01 -0.01 0.00 -0.09 -0.03 -0.03 -0.08 -0.02 -0.04 -0.07 0.04 0.07 0.02 0.00 -0.00 -0.02 0.01 -0.15 0.19 -0.06 -0.13 0.24 0.05 0.12 -0.01 0.05 -0.08 -0.04 0.04 0.05 -0.01 -0.02 -0.01 0.00 0.11 -0.01 0.22 0.03 -0.10 -0.03 -0.15 -0.04 -0.05 -0.07 -0.03 -0.00 0.02 0.05 0.01 0.04 0.12 -0.02 -0.06 -0.04 -0.00 0.00 -0.04 0.01 -0.05 0.11 0.13 -0.10 -0.02 0.02 -0.06 -0.02 0.03 0.02 0.09 0.02 0.03 0.10 0.01 0.03 0.06 -0.00 0.01 0.00 -0.01 0.01 -0.00 -0.01 0.02 0.05 0.00 0.01 -0.05 -0.01 0.07 0.07 0.09 0.01 -0.04 -0.01 0.04 0.11 0.01 0.02 0.02 -0.02 -0.00 0.02 -0.01 0.03 -0.08 -0.07 -0.00 -0.05 -0.01 -0.01 0.12 0.03 -0.01 -0.08 -0.05 0.02 -0.19 -0.11 -0.00 -0.19 -0.10 -0.10 -0.05 -0.02 -0.11 -0.04 -0.02 0.01 0.17 -0.11 -0.06 0.10 0.14 -0.04 0.16 0.17 -0.08 0.06 0.15 0.00 0.10 0.05 0.03 0.09 0.03 -0.01 0.05 0.02 0.05 0.04 -0.02 -0.01 -0.06 -0.01 -0.01 -0.07 -0.01 0.00 0.13 -0.05 0.05 0.19 0.03 0.05 -0.08 -0.07 -0.00 0.14 0.00 -0.01 0.18 0.03 -0.03 -0.08 -0.04 0.03 -0.27 -0.14 -0.01 -0.27 -0.13 -0.12 -0.04 -0.03 -0.10 -0.08 -0.03 0.01 0.10 -0.06 -0.04 0.10 0.00 -0.15 -0.21 -0.16 -0.03 -0.13 -0.05 0.06 -0.12 0.31 -0.12 0.09 -0.10 0.31 0.01 0.16 0.11 -0.03 0.08 -0.04 -0.05 -0.04 -0.01 -0.01 -0.07 -0.04 0.03 0.04 -0.17 0.01 0.02 0.04 -0.00 -0.02 -0.11 -0.02 0.05 -0.19 -0.03 0.04 -0.01 0.00 -0.00 -0.04 -0.07 -0.01 -0.09 -0.13 -0.09 -0.04 -0.00 -0.06 -0.02 0.06 -0.07 0.01 0.09 -0.06 -0.02 0.10 -0.09 0.04 -0.04 0.11 -0.07 -0.02 -0.07 0.07 0.04 0.01 0.07 0.02 0.01 0.05 -0.01 -0.01 0.08 0.01 0.01 -0.08 0.05 0.02 0.04 -0.01 -0.02 0.05 -0.04 -0.01 0.07 -0.02 0.01 0.06 -0.05 -0.01 0.07 0.05 0.04 0.17 0.00 0.10 -0.01 0.05 -0.21 0.04 -0.01 -0.02 0.04 -0.01 -0.03 0.04 0.00 -0.03 0.03 0.00 0.06 -0.05 -0.11 0.08 0.01 0.10 -0.03 0.01 0.11 -0.08 -0.00 0.06 -0.12 -0.02 0.16 -0.11 0.07 0.03 -0.07 0.09 0.13 0.04 0.09 0.03 0.02 0.04 -0.00 -0.03 0.03 -0.01 -0.01 0.04 -0.06 -0.02 0.08 -0.03 0.01 0.05 -0.08 -0.01 0.05 0.03 0.06 0.09 0.13 -0.01 -0.10 0.06 -0.05 -0.04 0.00 0.06 0.03 -0.11 -0.15 0.09 -0.13 0.01 -0.02 -0.03 -0.07 0.06 -0.09 0.05 0.01 0.02 -0.02 0.02 0.02 -0.02 -0.01 -0.04 -0.04 -0.04 0.01 -0.16 0.06 0.03 0.01 0.05 0.03 0.02 -0.02 0.13 0.21 0.11 0.04 -0.01 0.11 0.04 -0.00 -0.05 -0.00 -0.05 -0.03 -0.02 -0.12 0.00 -0.07 -0.11 -0.00 -0.05 0.01 -0.04 -0.00 0.04 -0.08 0.05 0.03 -0.03 -0.01 0.10 -0.02 -0.02 -0.10 0.05 -0.10 0.02 0.01 -0.04 -0.05 0.00 -0.02 -0.00 -0.02 0.07 0.07 0.01 -0.10 -0.03 0.02 0.02 0.03 -0.03 0.14 0.10 -0.02 0.09 0.11 0.01 -0.09 0.01 -0.01 0.01 0.08 0.05 0.03 0.01 0.02 0.02 -0.01 -0.03 0.00 -0.16 -0.02 0.13 0.24 -0.02 0.17 0.24 -0.03 0.05 0.22 -0.05 0.00 -0.02 -0.03 -0.03 -0.11 -0.08 0.07 0.08 -0.11 0.09 0.03 -0.06 0.03 0.15 0.00 -0.05 0.13 0.01 -0.04 -0.03 0.03 -0.08 -0.06 0.03 -0.18 -0.09 -0.03 0.14 0.05 -0.04 0.22 0.10 -0.03 0.17 0.16 0.02 -0.15 -0.02 -0.01 0.03 0.11 0.07 0.03 0.01 0.04 0.02 0.03 -0.15 -0.13 -0.03 -0.11 0.01 0.08 0.03 0.09 -0.02 0.08 0.17 -0.02 0.07 -0.10 0.32 0.05 0.11 0.13 -0.09 -0.01 -0.15 0.03 -0.02 -0.03 -0.04 0.02 -0.05 -0.02 0.05 -0.10 0.07 0.01 0.01 -0.00 -0.00 0.02 0.03 -0.04 -0.09 0.14 0.01 -0.03 0.10 0.01 -0.02 -0.09 -0.03 -0.10 -0.06 0.03 -0.10 -0.01 0.05 -0.05 -0.03 0.03 0.01 -0.08 -0.04 0.03 -0.14 -0.13 0.00 -0.07 -0.01 0.08 0.04 -0.01 0.11 0.04 0.11 0.04 0.07 0.06 0.03 0.06 0.03 0.01 0.05 -0.03 -0.03 0.07 0.05 0.02 -0.02 0.00 0.04 0.04 -0.04 -0.05 0.05 -0.08 -0.05 0.06 -0.00 -0.00 0.05 -0.06 -0.04 0.07 0.01 0.01 -0.00 -0.01 -0.07 -0.03 0.10 -0.22 0.03 -0.04 -0.10 0.03 -0.05 -0.11 0.04 -0.01 -0.10 -0.12 -0.03 -0.17 -0.08 0.07 -0.13 -0.17 -0.15 -0.07 -0.16 -0.18 0.07 -0.08 0.01 0.11 -0.02 -0.03 0.10 0.06 0.05 -0.05 0.07 0.14 0.05 0.08 0.09 0.05 0.04 -0.04 -0.05 0.03 -0.07 -0.04 0.04 -0.12 -0.08 0.07 0.01 0.01 0.05 -0.10 -0.06 0.16 0.02 -0.00 0.05 0.02 0.10 -0.02 0.19 -0.04 0.08 -0.01 0.01 -0.05 0.00 -0.08 0.00 0.04 -0.01 0.00 -0.12 0.02 0.04 -0.02 -0.03 -0.17 -0.07 -0.14 0.02 -0.06 0.04 0.01 0.09 -0.02 -0.06 0.00 -0.06 0.03 -0.05 0.04 0.02 -0.04 0.03 0.11 -0.15 -0.03 0.00 -0.06 0.05 0.00 -0.06 0.04 0.01 0.09 -0.02 -0.01 0.02 -0.05 -0.02 0.03 -0.06 0.01 0.08 -0.02 -0.00 0.11 -0.00 -0.01 0.20 0.01 -0.01 0.04 0.02 -0.03 -0.09 0.01 0.02 0.02 -0.02 -0.05 -0.14 0.07 -0.03 -0.07 0.05 0.03 -0.07 0.03 -0.07 0.01 0.05 0.04 -0.04 0.03 0.07 -0.15 0.02 0.04 0.01 0.01 -0.05 0.10 0.04 0.01 0.10 0.02 0.02 -0.05 0.05 -0.05 -0.06 -0.03 -0.08 0.00 -0.03 0.12 -0.13 -0.05 0.12 -0.19 -0.04 0.11 -0.12 -0.04 0.06 0.09 0.02 0.02 -0.02 -0.04 0.02 0.23 0.08 -0.02 0.27 -0.03 -0.05 0.02 0.03 -0.03 0.02 0.02 -0.02 -0.15 0.17 -0.10 -0.23 0.05 -0.11 0.02 0.07 0.05 -0.18 0.06 0.08 -0.18 0.02 0.09 0.01 -0.00 -0.08 0.17 0.05 0.02 0.17 0.02 0.10 -0.04 0.03 0.00 -0.04 0.12 -0.08 0.04 -0.03 -0.00 -0.09 -0.05 0.10 0.17 0.04 -0.04 0.04 -0.00 0.03 -0.07 0.07 0.10 -0.26 0.01 0.29 0.06 0.32 -0.18 0.07 -0.12 -0.01 0.04 -0.03 -0.04 0.06 -0.06 -0.06 0.02 -0.06 0.07 0.03 -0.03 0.07 -0.10 -0.03 -0.03 0.07 -0.05 0.04 0.07 -0.04 -0.05 0.04 -0.05 -0.02 0.08 -0.07 0.04 0.11 -0.01 -0.01 -0.01 -0.00 -0.04 -0.01 0.02 -0.07 0.04 0.02 -0.04 -0.07 0.07 -0.00 -0.03 0.04 0.02 -0.08 0.00 -0.02 -0.06 0.07 -0.01 -0.04 0.04 0.03 -0.06 0.01 -0.04 0.02 0.04 0.00 -0.00 -0.05 0.05 -0.11 0.01 0.04 -0.03 -0.02 -0.03 0.05 0.02 0.01 0.02 -0.01 -0.10 0.01 -0.07 0.02 0.05 0.07 -0.05 0.06 -0.05 0.08 -0.09 -0.05 0.08 -0.13 -0.03 0.06 -0.08 -0.03 -0.07 0.05 -0.06 -0.00 0.10 -0.13 -0.06 0.05 0.05 -0.09 0.07 0.01 -0.07 -0.02 0.13 -0.03 -0.16 0.11 -0.01 -0.06 0.13 -0.06 -0.11 0.06 -0.06 0.04 0.07 0.04 -0.12 0.04 0.07 -0.13 0.01 0.06 -0.05 -0.04 -0.05 0.10 0.02 0.02 0.05 -0.03 -0.27 -0.00 -0.05 -0.06 -0.05 -0.22 -0.02 -0.01 -0.03 -0.06 -0.00 -0.01 0.07 0.11 0.07 -0.13 -0.09 -0.02 0.00 0.02 0.02 -0.03 -0.22 -0.10 -0.16 0.05 -0.02 0.53 0.11 0.44 -0.04 -0.03 -0.03 -0.01 0.04 0.01 -0.06 0.02 -0.03 0.08 0.04 -0.06 0.01 -0.03 -0.00 0.03 0.06 -0.07 0.11 0.06 -0.08 -0.04 -0.01 -0.02 -0.02 0.05 -0.01 0.01 0.05 0.02 -0.04 -0.06 -0.04 -0.03 -0.04 -0.04 -0.02 -0.02 -0.04 -0.03 -0.02 -0.03 -0.00 0.02 0.03 -0.07 -0.13 -0.06 -0.01 0.01 0.04 -0.01 0.01 0.02 -0.00 -0.02 0.00 -0.02 0.03 0.03 -0.01 0.01 -0.03 0.01 -0.03 0.01 0.00 -0.03 -0.02 -0.02 0.02 0.00 -0.01 -0.01 -0.02 -0.08 0.00 -0.06 0.11 0.06 0.13 -0.01 0.03 0.02 0.01 -0.03 -0.01 0.02 -0.03 -0.00 0.00 -0.02 -0.00 -0.08 -0.00 -0.02 -0.02 0.08 -0.05 -0.02 -0.01 -0.03 -0.02 -0.01 -0.04 -0.02 -0.01 -0.03 -0.01 -0.01 -0.04 -0.01 0.01 0.06 -0.02 -0.01 0.04 -0.03 0.05 0.04 0.01 -0.03 0.02 0.02 -0.03 0.00 0.01 -0.05 -0.03 -0.02 0.03 0.01 -0.01 -0.02 -0.04 -0.30 0.00 -0.04 -0.02 -0.04 -0.27 0.00 -0.02 0.03 0.11 -0.11 -0.08 -0.14 -0.13 -0.06 0.05 0.20 0.00 -0.01 -0.13 0.14 0.07 0.08 0.11 0.02 -0.01 0.05 0.11 0.01 0.09 0.02 0.03 0.03 -0.04 -0.07 -0.02 -0.08 -0.01 -0.06 0.14 0.01 -0.02 -0.08 0.07 -0.05 -0.08 0.07 -0.03 0.05 0.08 -0.00 0.03 -0.02 0.02 -0.02 -0.09 0.02 -0.05 -0.08 -0.01 0.02 0.05 0.03 0.01 0.01 0.03 0.01 -0.00 0.03 0.01 -0.06 0.02 -0.03 -0.08 0.02 0.05 0.12 0.05 -0.02 -0.01 -0.08 -0.03 -0.00 -0.06 -0.04 0.06 -0.01 -0.02 -0.03 -0.06 0.06 -0.04 -0.05 -0.06 0.07 -0.03 -0.04 0.13 0.05 -0.02 0.03 -0.00 -0.03 0.12 0.06 -0.14 -0.04 -0.13 0.01 -0.01 0.02 -0.07 -0.02 -0.12 -0.09 0.06 -0.03 -0.10 0.07 -0.08 -0.05 0.08 -0.07 0.08 -0.03 -0.00 0.00 -0.14 0.06 0.02 -0.01 0.03 0.01 -0.00 0.03 -0.02 -0.04 0.04 -0.03 -0.13 0.04 -0.02 -0.02 -0.15 -0.01 0.07 -0.05 -0.01 -0.08 -0.11 -0.06 0.07 -0.04 -0.08 0.05 -0.03 -0.05 0.19 0.10 -0.00 0.01 -0.00 -0.03 0.17 0.11 -0.35 -0.01 -0.12 -0.09 -0.12 -0.33 -0.04 0.05 0.01 -0.01 -0.06 -0.03 -0.10 -0.13 -0.13 0.08 0.03 0.01 -0.07 0.20 -0.17 -0.01 0.14 0.10 0.03 -0.02 0.03 0.05 -0.02 0.04 -0.03 0.03 0.01 0.01 0.04 0.01 -0.06 -0.01 -0.04 0.06 0.00 -0.02 0.11 -0.07 0.09 -0.04 0.03 -0.04 0.04 0.04 -0.03 -0.03 0.04 0.01 -0.03 0.02 0.00 -0.06 -0.04 -0.04 -0.03 0.02 0.03 -0.04 -0.00 0.04 -0.05 0.01 0.03 -0.05 -0.04 0.03 -0.00 0.10 -0.04 0.02 0.07 0.05 0.05 0.05 0.07 0.05 0.04 0.08 0.05 -0.07 0.00 0.05 0.08 0.10 -0.00 -0.03 -0.03 0.07 -0.06 0.03 0.05 -0.19 -0.08 0.04 -0.02 0.02 0.04 -0.18 -0.08 -0.10 -0.03 -0.08 0.00 -0.02 0.01 0.08 -0.04 0.12 0.13 -0.04 0.07 0.15 -0.07 0.14 0.07 -0.12 0.12 -0.02 0.04 0.02 -0.06 0.02 0.05 -0.08 0.01 0.04 -0.04 -0.01 0.04 -0.06 -0.02 0.05 -0.06 -0.08 0.05 0.06 0.05 0.11 0.06 -0.02 0.04 0.06 0.17 0.16 0.06 -0.08 0.02 0.07 -0.01 0.02 0.05 -0.29 -0.15 0.04 0.00 0.03 0.03 -0.28 -0.15 -0.22 -0.01 -0.07 -0.06 -0.07 -0.20 0.07 0.08 -0.00 -0.07 -0.02 -0.03 0.21 0.05 -0.01 0.22 -0.29 0.03 0.09 -0.09 0.05 -0.11 0.36 0.09 0.02 -0.01 0.02 0.03 -0.01 0.02 0.02 -0.03 0.02 -0.02 0.12 -0.06 -0.06 -0.02 -0.05 -0.01 -0.01 -0.05 -0.01 -0.05 0.00 -0.04 0.00 -0.05 -0.01 0.00 -0.05 -0.01 0.07 0.04 0.04 0.12 -0.02 0.10 0.06 0.01 0.01 -0.07 0.03 0.01 -0.11 0.02 -0.01 -0.14 0.01 0.01 -0.06 -0.03 0.00 -0.01 0.01 0.04 0.00 0.05 -0.08 -0.07 0.04 -0.08 -0.06 0.00 -0.04 -0.02 0.01 -0.11 -0.02 -0.01 -0.04 -0.02 -0.04 -0.02 -0.05 0.02 -0.03 0.06 0.02 -0.09 0.06 -0.00 -0.05 0.11 0.02 -0.07 -0.02 -0.06 0.00 -0.01 -0.00 -0.06 0.15 -0.06 -0.00 -0.05 -0.01 -0.00 -0.06 -0.00 -0.01 -0.04 0.00 -0.08 0.09 0.09 0.06 0.12 -0.05 -0.18 -0.16 -0.04 0.05 -0.27 0.05 0.06 -0.06 -0.05 0.00 -0.04 -0.04 -0.09 -0.04 0.12 -0.13 -0.13 0.02 -0.14 -0.05 -0.02 -0.02 -0.06 0.04 -0.00 -0.06 0.01 0.00 0.10 0.03 -0.11 0.09 -0.00 -0.04 0.18 0.03 -0.15 -0.02 -0.06 -0.05 -0.04 -0.14 0.15 0.17 -0.03 -0.14 -0.05 0.04 -0.06 -0.12 -0.07 -0.02 0.28 -0.07 0.03 -0.00 -0.03 0.12 -0.12 0.09 -0.08 0.11 0.06 0.08 0.21 -0.07 0.01 -0.05 -0.00 0.01 0.04 0.01 0.11 -0.01 -0.07 -0.22 -0.07 0.07 0.02 -0.03 0.03 0.10 -0.03 -0.06 -0.10 -0.06 0.02 0.05 0.07 0.07 0.04 0.02 0.05 -0.01 -0.06 -0.02 0.01 -0.10 -0.01 0.00 -0.18 -0.02 -0.01 -0.19 -0.03 0.00 -0.13 -0.00 0.01 0.01 -0.01 0.03 0.03 0.01 -0.03 -0.02 0.01 -0.03 -0.02 -0.00 -0.02 -0.02 -0.00 -0.04 0.00 0.00 -0.09 -0.04 0.02 -0.01 -0.03 0.00 -0.01 0.01 -0.00 -0.03 0.03 0.00 -0.02 0.04 0.00 0.10 0.00 -0.02 0.03 0.11 -0.01 -0.00 0.05 0.00 0.03 -0.02 0.02 0.04 -0.04 0.04 0.01 -0.05 0.03 0.04 0.08 0.18 0.04 -0.02 0.11 -0.26 -0.22 -0.09 0.12 -0.40 0.01 0.02 -0.10 0.02 0.06 -0.10 0.00 -0.04 -0.01 0.04 -0.04 -0.04 0.00 -0.05 0.00 0.01 -0.02 -0.05 -0.00 -0.01 -0.01 0.00 -0.00 0.01 -0.00 -0.04 0.05 0.01 -0.02 0.06 0.01 0.13 -0.04 -0.00 0.09 -0.00 0.03 -0.12 -0.13 0.06 0.16 -0.09 -0.12 0.01 0.03 -0.02 0.09 -0.19 0.08 -0.02 0.00 0.03 -0.01 0.05 0.03 -0.16 0.16 0.11 0.15 0.35 -0.11 0.00 0.08 0.03 -0.02 0.00 -0.03 0.20 -0.05 -0.13 -0.21 -0.12 0.05 0.00 0.00 0.03 -0.03 -0.11 -0.02 -0.27 -0.14 0.07 -0.04 -0.02 -0.03 -0.03 0.00 -0.04 -0.00 0.04 -0.00 0.00 0.08 0.05 -0.01 0.11 0.06 -0.01 0.11 0.06 -0.02 0.01 0.02 -0.02 0.00 0.00 0.03 -0.03 0.05 0.00 0.02 -0.00 0.00 0.02 0.00 -0.00 -0.00 -0.01 0.01 0.04 0.02 0.06 -0.07 -0.07 -0.01 0.01 -0.00 -0.01 -0.03 -0.02 0.00 0.02 0.01 -0.00 -0.02 -0.01 0.16 -0.04 -0.06 0.04 0.17 -0.02 -0.01 -0.01 -0.02 0.00 0.01 0.03 0.01 0.01 0.05 -0.01 -0.02 0.04 -0.03 -0.03 -0.13 -0.03 0.02 -0.06 0.16 0.13 0.10 -0.10 0.25 0.04 -0.04 0.02 0.04 -0.08 -0.08 0.04 0.01 0.01 -0.02 0.01 0.03 0.00 0.01 0.06 0.04 -0.01 0.00 -0.02 -0.01 0.03 -0.00 -0.01 -0.05 -0.04 0.01 0.03 0.02 -0.01 -0.04 -0.02 0.16 -0.11 -0.03 0.14 -0.06 -0.01 0.04 -0.06 -0.01 0.06 -0.02 0.04 -0.02 -0.02 -0.05 -0.02 -0.03 -0.02 0.01 -0.04 0.06 -0.02 -0.00 -0.08 0.01 0.01 0.00 -0.03 0.00 -0.02 0.01 0.02 -0.01 -0.01 0.02 -0.02 0.03 0.01 0.03 0.05 0.01 0.08 0.04 -0.06 0.22 0.04 0.05 0.03 0.06 0.05 0.07 0.01 0.01 -0.02 0.00 0.01 -0.01 -0.00 0.00 -0.02 0.01 0.01 -0.03 0.02 -0.01 -0.04 0.02 -0.08 -0.05 0.03 -0.01 -0.04 -0.01 0.01 -0.01 -0.01 -0.00 -0.05 -0.04 0.04 -0.06 -0.06 0.02 -0.04 -0.08 -0.06 -0.08 -0.04 0.14 0.04 0.03 -0.01 0.06 -0.09 -0.00 -0.05 -0.09 -0.07 -0.08 -0.04 0.15 0.06 -0.07 0.03 -0.01 0.00 0.01 0.00 -0.01 0.01 -0.00 -0.04 0.06 -0.08 0.10 0.04 0.25 0.13 -0.00 0.34 -0.01 -0.25 0.28 -0.00 0.00 -0.05 0.01 0.00 -0.00 -0.00 -0.10 -0.11 0.03 -0.13 -0.02 0.02 -0.05 -0.06 0.04 0.04 -0.06 -0.05 0.04 -0.10 -0.02 0.09 -0.04 -0.03 0.22 0.10 -0.12 -0.09 -0.17 -0.14 0.21 -0.04 -0.09 -0.13 -0.12 -0.03 0.25 0.14 -0.07 0.02 -0.00 -0.01 0.02 -0.00 0.00 -0.02 -0.00 0.02 -0.03 -0.02 0.07 -0.10 0.09 -0.09 -0.02 -0.09 -0.07 -0.07 -0.03 0.00 0.05 -0.02 -0.11 0.07 -0.12 0.00 0.03 0.04 -0.01 0.06 -0.05 -0.02 0.07 -0.02 0.00 0.05 0.03 0.07 0.00 0.01 0.05 -0.02 0.18 -0.08 0.04 -0.15 0.11 0.10 0.03 0.10 0.09 0.13 -0.01 0.05 -0.03 -0.02 0.06 0.00 -0.04 0.04 -0.04 -0.03 0.03 -0.05 -0.02 -0.02 -0.06 -0.02 -0.08 -0.07 -0.02 -0.05 -0.05 0.00 0.03 0.04 -0.07 0.01 -0.07 -0.01 -0.03 0.11 -0.00 -0.01 0.06 0.04 0.03 0.08 -0.04 -0.07 -0.01 0.03 -0.07 0.11 0.07 -0.01 0.07 0.05 0.05 0.04 -0.03 -0.08 -0.06 0.02 -0.00 -0.02 -0.01 -0.02 -0.05 -0.00 0.03 -0.01 0.02 0.02 0.09 -0.13 -0.06 -0.19 -0.15 0.01 -0.24 -0.05 0.21 -0.20 -0.03 0.04 -0.07 -0.03 0.07 0.02 -0.07 -0.10 -0.14 0.01 -0.16 -0.04 -0.05 -0.15 -0.10 -0.01 0.03 -0.09 -0.01 -0.02 0.20 -0.06 -0.11 0.09 -0.07 -0.12 -0.03 0.10 0.08 0.20 0.14 -0.20 0.06 0.08 0.08 0.06 -0.06 -0.13 -0.12 0.02 0.00 -0.06 -0.09 0.02 -0.05 0.00 -0.10 -0.11 -0.03 0.16 -0.10 0.04 -0.09 0.04 0.13 0.14 0.25 -0.09 0.07 -0.04 -0.08 -0.03 -0.01 -0.16 0.19 0.00 -0.01 0.02 0.04 0.01 0.06 -0.05 -0.05 -0.21 -0.03 -0.02 -0.12 -0.02 0.04 -0.01 -0.02 0.01 -0.03 0.12 0.09 -0.01 0.03 0.05 0.05 0.00 0.03 0.04 0.09 -0.03 -0.11 0.02 -0.03 -0.12 -0.01 0.02 -0.06 0.07 -0.04 -0.11 -0.02 -0.03 -0.02 -0.01 -0.03 0.12 0.00 -0.03 -0.04 -0.01 -0.03 -0.05 -0.05 -0.10 0.04 -0.02 0.06 0.02 -0.11 0.05 0.02 -0.05 0.01 0.01 -0.04 0.10 0.00 -0.01 0.02 -0.07 0.05 -0.02 0.02 -0.06 -0.00 -0.02 0.01 0.09 -0.03 0.03 0.04 -0.05 0.04 -0.02 -0.03 -0.07 -0.00 0.02 -0.02 -0.02 -0.11 -0.08 0.14 0.07 0.06 0.13 -0.02 0.06 0.10 -0.09 0.05 -0.01 -0.09 0.16 -0.01 -0.12 -0.05 -0.02 0.16 0.14 -0.03 0.21 -0.06 -0.05 -0.09 -0.04 -0.05 -0.01 -0.03 0.07 -0.00 -0.22 0.12 0.11 -0.08 0.15 0.01 -0.02 -0.05 -0.05 -0.16 -0.09 0.12 -0.04 -0.04 -0.03 0.02 0.12 -0.05 0.05 0.03 -0.08 0.07 -0.11 -0.01 -0.07 -0.00 -0.11 -0.14 -0.00 -0.02 0.04 -0.01 0.00 0.00 -0.02 -0.01 -0.03 -0.05 -0.00 0.04 0.03 0.04 -0.00 -0.03 -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.03 0.01 0.05 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.25 -0.10 -0.04 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.03 0.01 0.00 0.04 0.00 -0.01 0.02 -0.00 -0.00 0.03 0.02 -0.00 0.01 0.01 -0.00 -0.02 0.01 -0.01 0.00 0.00 0.02 0.05 -0.02 -0.03 0.01 0.01 0.00 0.06 -0.06 -0.01 -0.01 -0.04 -0.05 0.04 0.01 0.02 -0.12 -0.06 -0.01 0.00 0.00 -0.06 -0.05 -0.06 -0.06 0.08 0.09 0.01 -0.13 -0.02 -0.02 0.00 0.08 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.06 -0.03 0.37 0.09 -0.05 0.35 -0.24 -0.02 0.27 -0.18 -0.03 -0.01 0.03 -0.02 -0.01 0.04 0.02 -0.01 -0.03 -0.01 -0.00 -0.04 0.02 -0.00 -0.01 -0.01 -0.02 0.01 -0.01 -0.03 0.08 -0.12 0.04 0.12 -0.05 0.05 -0.18 -0.12 -0.14 -0.24 -0.19 -0.19 0.05 -0.02 -0.08 0.15 0.15 0.03 -0.22 -0.04 -0.03 0.03 0.14 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.02 0.01 -0.07 -0.09 -0.02 0.05 -0.20 0.12 0.10 0.32 -0.18 -0.14 -0.08 0.04 0.06 0.18 -0.03 0.05 0.00 -0.01 0.02 -0.00 -0.00 -0.01 -0.01 0.08 -0.09 0.03 -0.15 0.25 -0.01 -0.01 -0.01 -0.06 -0.03 0.05 0.07 -0.01 -0.01 0.07 0.03 -0.04 0.04 0.02 -0.00 0.07 -0.03 -0.07 -0.00 -0.06 0.09 -0.09 0.07 0.05 0.01 0.06 -0.10 -0.02 0.03 -0.08 0.04 0.12 -0.06 -0.02 -0.03 -0.03 -0.02 -0.02 0.10 0.17 -0.05 -0.06 -0.01 0.07 0.00 -0.02 0.04 -0.00 -0.04 0.04 0.00 -0.01 0.00 -0.01 -0.08 -0.04 0.04 -0.05 0.01 -0.02 -0.05 0.03 0.02 -0.02 -0.03 -0.01 -0.04 -0.01 0.01 -0.05 -0.03 -0.05 -0.01 -0.01 -0.01 0.03 -0.14 0.23 0.11 0.06 -0.02 0.11 -0.06 -0.00 0.07 -0.04 -0.01 0.15 -0.04 -0.11 -0.01 -0.05 0.08 0.16 0.16 0.03 0.03 0.25 -0.15 -0.08 -0.03 0.00 0.03 -0.04 -0.01 -0.02 0.06 -0.10 0.01 0.19 0.04 -0.00 -0.00 -0.02 -0.08 -0.06 -0.07 -0.10 0.05 -0.01 -0.06 0.04 0.03 -0.01 -0.07 -0.02 -0.04 -0.03 0.02 -0.12 -0.01 -0.05 -0.03 -0.07 -0.11 0.00 0.03 -0.09 0.16 0.02 -0.07 0.05 -0.03 0.04 0.09 0.01 -0.09 -0.09 0.09 0.07 0.06 -0.05 0.09 -0.00 0.02 -0.03 -0.01 0.00 0.01 -0.08 -0.19 -0.06 -0.04 0.02 0.03 0.03 0.03 0.04 0.11 0.05 -0.04 0.08 -0.02 -0.06 -0.09 -0.02 0.09 -0.04 -0.01 0.03 -0.08 -0.06 -0.00 -0.05 0.00 0.02 -0.02 -0.07 0.00 -0.04 -0.08 -0.04 -0.01 0.00 -0.04 -0.07 -0.14 -0.07 0.02 0.06 0.01 -0.05 0.06 0.06 0.03 -0.03 -0.01 -0.05 0.06 0.08 -0.06 0.06 0.08 -0.04 0.06 0.07 -0.08 0.01 0.03 0.13 0.06 -0.03 -0.02 -0.02 0.05 -0.04 0.03 0.03 -0.09 -0.05 -0.03 -0.07 -0.03 -0.03 0.08 0.05 0.09 0.02 0.02 0.01 -0.02 0.00 0.04 0.12 0.04 -0.11 0.12 -0.12 -0.09 0.09 0.03 -0.07 -0.15 -0.05 0.09 -0.08 0.03 0.01 -0.25 -0.19 -0.22 -0.04 -0.34 0.05 -0.01 0.10 0.05 0.05 0.00 0.04 -0.05 0.07 0.10 -0.05 0.04 0.08 -0.10 0.00 0.03 -0.05 -0.07 0.07 -0.03 -0.06 0.06 -0.02 0.03 0.02 -0.10 -0.11 -0.09 -0.07 -0.08 -0.08 0.21 0.02 0.09 0.06 0.12 0.20 -0.04 -0.07 -0.01 -0.01 -0.00 0.02 0.08 -0.10 -0.05 0.00 0.10 -0.10 0.13 0.07 0.01 -0.01 0.03 0.04 -0.00 -0.01 0.01 0.00 0.00 -0.01 -0.02 -0.14 -0.03 0.10 0.10 0.06 0.00 -0.01 -0.00 -0.01 -0.01 0.02 -0.03 -0.05 0.02 0.02 0.01 -0.01 0.01 0.01 0.01 -0.03 -0.07 -0.01 0.02 0.05 0.03 0.03 -0.06 -0.01 -0.02 -0.11 -0.03 -0.00 0.01 -0.02 0.07 0.21 0.02 -0.00 0.00 -0.02 0.09 0.09 0.05 -0.01 -0.01 -0.03 -0.02 0.04 0.05 -0.04 -0.04 -0.00 -0.03 -0.03 -0.00 -0.07 -0.04 -0.03 -0.01 -0.02 0.01 -0.01 -0.05 0.01 -0.02 0.03 0.00 -0.07 0.02 -0.03 -0.04 0.07 -0.00 -0.02 -0.02 -0.02 -0.00 -0.01 -0.01 0.14 0.06 0.09 -0.03 -0.06 0.01 -0.02 -0.03 0.05 -0.06 -0.05 0.04 -0.12 -0.06 -0.00 -0.05 0.12 0.05 0.35 0.29 0.25 -0.01 0.53 -0.14 -0.01 -0.00 -0.01 0.00 0.01 -0.02 -0.08 0.09 0.11 -0.05 0.01 0.05 -0.10 -0.06 -0.03 -0.01 -0.04 0.03 0.01 -0.05 0.01 0.01 0.06 0.01 -0.08 0.04 -0.03 -0.03 0.14 0.01 -0.05 -0.00 -0.02 -0.01 -0.04 -0.05 -0.07 0.06 -0.04 0.03 -0.02 -0.02 -0.13 0.04 0.04 -0.01 -0.05 0.03 0.15 0.04 -0.05 -0.02 0.00 0.00 -0.00 0.01 -0.01 0.00 0.01 0.00 -0.04 -0.00 -0.03 0.14 0.00 0.15 0.00 0.01 0.01 0.05 0.02 -0.03 -0.10 -0.06 0.09 -0.05 -0.01 0.03 -0.02 -0.01 0.00 -0.02 -0.01 -0.02 0.01 0.01 0.05 -0.06 0.02 0.02 -0.04 0.03 0.00 -0.06 0.02 0.02 -0.13 -0.10 -0.01 -0.05 0.01 0.06 0.12 0.03 0.04 -0.02 -0.00 0.01 0.04 0.01 -0.03 0.03 -0.11 -0.10 0.03 -0.11 -0.10 0.04 -0.10 -0.09 0.05 0.02 -0.02 0.02 -0.05 -0.07 0.04 0.02 -0.01 0.06 0.03 -0.00 0.06 0.13 0.06 0.04 0.02 0.04 0.01 0.01 0.01 0.16 -0.01 0.13 -0.15 -0.13 0.14 -0.13 0.08 0.14 -0.13 -0.14 0.11 0.00 -0.01 -0.00 -0.06 0.07 0.09 -0.30 -0.14 -0.14 -0.09 -0.29 0.10 -0.08 0.04 0.09 -0.04 -0.05 0.09 -0.02 0.05 -0.06 0.03 0.08 -0.01 0.04 -0.14 -0.12 0.04 0.00 -0.09 0.03 0.01 -0.08 0.04 0.06 0.01 0.06 0.09 0.04 0.07 0.27 0.16 0.11 0.00 0.04 0.03 0.07 0.09 -0.00 0.01 -0.00 -0.01 0.15 0.07 0.03 -0.02 0.02 0.00 -0.00 0.03 0.00 0.02 0.00 0.04 -0.05 0.00 -0.02 -0.05 0.05 0.05 0.02 -0.09 -0.01 -0.05 -0.00 0.01 0.01 -0.01 0.05 -0.06 -0.03 0.03 -0.06 0.03 -0.01 -0.01 0.01 -0.02 -0.02 0.02 -0.03 -0.03 0.05 -0.01 -0.01 0.01 -0.01 -0.01 0.00 0.00 -0.03 0.00 -0.00 0.05 0.01 0.01 0.10 0.01 -0.04 -0.06 -0.02 0.01 0.16 0.00 0.01 0.02 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 -0.01 0.07 -0.06 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 -0.12 -0.13 -0.20 -0.01 -0.05 -0.06 0.02 0.01 -0.01 -0.02 -0.02 0.01 -0.01 -0.00 0.01 -0.02 -0.01 0.01 -0.03 -0.01 0.04 -0.02 -0.00 0.01 -0.14 -0.11 -0.17 -0.02 -0.22 0.09 0.02 0.14 -0.01 0.01 0.19 -0.01 -0.01 0.02 0.01 0.00 0.01 0.00 -0.01 -0.02 -0.01 0.01 -0.01 0.01 0.01 -0.01 -0.00 0.01 0.01 0.00 -0.01 0.00 -0.01 0.00 0.03 0.01 -0.45 -0.01 -0.22 -0.05 -0.36 -0.48 -0.00 -0.01 -0.02 -0.17 -0.01 0.12 -0.05 0.02 -0.05 -0.04 0.01 -0.03 0.04 -0.06 -0.02 -0.05 0.05 -0.05 -0.01 0.02 -0.01 0.10 0.14 -0.17 0.03 0.07 -0.02 0.03 -0.04 0.07 -0.05 -0.03 0.06 0.35 0.02 -0.12 0.05 0.05 -0.04 -0.34 -0.09 0.21 -0.08 -0.04 0.09 0.04 0.02 -0.04 0.04 0.02 0.00 0.01 0.05 -0.02 0.02 -0.06 -0.02 -0.01 -0.13 -0.01 0.02 0.05 0.02 -0.00 -0.13 0.08 0.01 -0.05 0.01 -0.01 -0.01 -0.04 -0.02 -0.04 -0.00 -0.01 0.03 0.01 -0.02 0.05 0.02 -0.01 0.06 0.03 0.25 0.00 -0.07 -0.03 0.05 0.00 -0.03 -0.01 0.00 -0.01 0.01 0.02 -0.03 -0.06 -0.02 0.11 -0.00 -0.03 0.09 0.03 -0.09 0.00 -0.02 0.08 0.08 0.10 -0.05 0.06 -0.01 -0.06 0.07 0.06 -0.05 0.07 0.01 -0.08 0.04 0.02 -0.02 0.13 0.11 0.19 0.01 0.23 -0.10 -0.01 -0.08 0.12 0.08 -0.13 0.10 0.01 -0.06 0.01 -0.04 -0.04 -0.00 0.00 0.08 0.05 -0.04 0.02 -0.01 -0.05 0.05 0.01 -0.04 -0.03 -0.01 -0.00 0.00 0.03 -0.04 -0.12 -0.05 0.20 0.02 -0.05 0.11 0.11 0.01 -0.08 0.03 -0.05 0.03 0.00 -0.02 0.05 -0.05 -0.07 -0.05 0.01 0.06 0.20 -0.14 -0.08 -0.01 0.02 -0.06 0.00 -0.01 0.00 -0.02 -0.03 0.04 0.03 -0.02 -0.03 0.14 -0.08 0.21 0.02 0.01 -0.02 -0.08 -0.01 0.01 0.11 0.12 -0.08 0.06 0.01 -0.05 0.00 -0.00 -0.03 0.03 -0.03 -0.05 0.06 0.01 0.03 0.04 0.01 -0.01 0.03 0.02 0.02 -0.01 0.04 0.05 -0.09 -0.03 0.02 -0.01 0.03 0.06 0.08 -0.09 0.03 -0.00 0.02 0.01 -0.04 -0.09 0.01 -0.03 0.05 0.02 -0.05 0.11 0.05 -0.03 0.12 0.07 -0.04 0.01 0.00 -0.07 0.12 0.02 -0.08 -0.03 0.00 -0.05 0.03 0.04 -0.08 -0.12 -0.05 -0.03 -0.01 -0.01 -0.02 -0.01 0.02 0.11 -0.05 0.19 0.18 0.24 -0.12 0.16 -0.04 -0.12 0.15 0.15 -0.10 0.04 -0.03 -0.04 0.01 0.07 0.02 -0.20 -0.06 -0.06 -0.09 -0.14 0.11 -0.01 0.06 0.07 -0.03 -0.01 0.07 0.01 -0.12 0.08 -0.11 -0.13 0.00 -0.02 0.18 0.10 -0.10 0.04 -0.02 -0.12 0.12 0.03 -0.09 -0.07 -0.02 -0.03 0.03 0.07 -0.09 -0.27 -0.13 -0.08 -0.00 -0.00 -0.03 -0.05 -0.04 -0.04 0.04 -0.06 -0.02 -0.01 0.01 0.26 -0.09 -0.19 -0.08 0.04 0.10 -0.25 0.14 0.13 0.00 0.04 -0.13 0.00 0.00 -0.00 0.00 -0.00 0.00 0.09 0.07 0.01 -0.00 -0.21 0.20 -0.01 0.00 -0.01 -0.02 0.00 -0.02 -0.06 -0.08 0.05 -0.00 -0.01 -0.01 -0.01 -0.01 -0.02 0.05 -0.01 -0.08 0.03 -0.04 -0.04 0.13 0.04 -0.07 0.09 0.04 0.03 0.04 -0.03 0.05 -0.04 -0.02 0.03 0.04 -0.04 0.05 -0.05 -0.02 0.14 0.02 0.04 -0.00 0.03 0.11 0.04 -0.00 0.00 0.01 -0.01 -0.04 -0.02 -0.02 -0.04 -0.04 -0.01 0.01 -0.01 -0.01 -0.07 -0.01 0.01 0.04 -0.00 -0.02 -0.01 -0.05 -0.00 0.08 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.04 -0.27 0.31 -0.09 -0.12 0.07 -0.08 0.00 0.08 -0.09 -0.11 0.07 0.11 -0.02 -0.10 0.06 -0.03 -0.14 -0.10 -0.02 0.02 -0.05 -0.05 0.07 0.06 -0.02 0.05 0.03 -0.05 0.05 -0.01 0.11 -0.14 0.08 0.30 0.09 -0.04 -0.07 -0.05 -0.00 -0.05 -0.01 0.00 -0.05 -0.02 0.03 0.07 0.01 -0.03 -0.04 -0.08 0.01 0.15 0.04 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.02 0.00 0.00 -0.00 0.02 -0.01 -0.01 0.01 0.00 -0.03 -0.01 -0.01 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.01 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.01 -0.00 0.02 0.01 0.00 0.01 0.00 -0.01 -0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.01 -0.01 0.01 -0.00 -0.01 -0.01 0.01 -0.00 -0.00 -0.01 0.00 -0.02 0.02 0.01 0.00 0.00 0.01 -0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.03 0.01 -0.03 0.01 0.00 0.00 0.01 -0.00 -0.01 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.03 -0.09 -0.08 0.56 -0.41 0.12 -0.33 0.53 -0.07 -0.18 -0.02 0.01 0.01 0.00 0.02 0.00 -0.01 -0.00 -0.02 0.00 -0.01 -0.01 -0.01 0.00 -0.00 -0.01 0.01 -0.00 0.02 -0.03 0.02 -0.01 -0.02 0.02 0.00 0.01 0.00 -0.03 -0.02 -0.14 -0.13 0.06 -0.00 0.02 0.01 0.00 0.00 -0.01 -0.02 0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.01 0.19 0.01 -0.01 -0.01 0.17 -0.07 -0.08 0.09 0.02 -0.25 -0.05 -0.07 -0.03 0.00 -0.02 -0.01 -0.00 0.00 0.00 0.01 0.01 -0.01 -0.04 0.01 0.06 -0.06 -0.01 0.12 -0.01 -0.00 0.01 0.02 0.00 0.01 0.01 0.05 -0.02 -0.01 0.00 0.01 0.01 0.01 0.01 -0.04 0.09 0.11 -0.01 0.09 0.07 0.03 0.04 0.04 -0.07 -0.02 -0.09 -0.08 0.07 -0.07 -0.08 0.00 -0.05 -0.08 0.04 -0.02 -0.07 -0.08 0.03 -0.02 -0.01 -0.13 -0.02 -0.05 -0.01 0.03 -0.02 -0.07 0.03 -0.01 -0.07 0.08 -0.03 -0.03 0.00 -0.01 0.01 0.02 0.04 -0.06 0.01 -0.04 -0.01 0.08 -0.00 0.05 0.06 -0.01 0.06 0.01 0.00 0.01 0.01 0.00 -0.00 -0.10 -0.03 0.23 0.08 0.11 -0.34 0.28 -0.01 0.22 -0.31 0.04 0.11 -0.09 0.09 0.14 0.02 0.08 0.02 -0.14 -0.04 -0.18 0.00 -0.13 -0.03 -0.12 0.02 -0.01 -0.07 0.03 -0.01 0.02 -0.09 -0.05 -0.06 -0.00 0.00 0.13 -0.04 -0.06 0.02 0.06 -0.05 0.04 0.07 -0.06 -0.04 -0.05 -0.00 0.11 0.03 0.10 0.05 0.01 0.11 0.04 -0.00 0.01 0.01 0.03 0.03 0.09 -0.04 -0.13 0.03 0.05 -0.01 -0.00 0.03 -0.15 -0.06 -0.01 0.11 -0.06 -0.05 -0.02 -0.07 -0.06 0.29 -0.00 -0.01 0.00 -0.01 -0.02 0.01 -0.09 0.03 -0.04 -0.05 -0.01 0.14 0.04 0.00 -0.00 0.00 -0.00 0.03 0.02 0.06 -0.02 0.02 0.01 0.01 -0.00 0.01 0.03 -0.08 0.04 -0.07 -0.04 0.15 -0.01 -0.03 0.13 -0.05 -0.09 -0.08 0.06 0.01 -0.07 -0.02 0.11 0.02 -0.01 0.03 0.02 -0.10 -0.06 -0.08 0.07 -0.09 -0.06 0.17 -0.03 -0.07 0.04 0.03 -0.02 -0.07 0.03 -0.02 -0.07 0.07 -0.04 -0.04 0.03 0.00 0.00 -0.01 0.06 -0.09 0.01 -0.05 -0.01 0.07 -0.00 0.05 0.05 -0.01 0.06 -0.01 -0.01 -0.01 -0.01 -0.01 0.01 -0.09 -0.04 0.29 0.06 0.11 -0.09 0.11 0.04 0.07 -0.07 0.01 0.03 -0.17 0.05 -0.10 -0.04 0.18 -0.08 0.25 0.07 0.14 0.05 0.21 -0.10 0.07 -0.00 -0.14 0.02 0.10 -0.13 0.03 -0.11 0.05 -0.12 -0.04 0.05 0.12 -0.04 -0.07 -0.01 0.05 -0.15 -0.06 0.13 -0.08 -0.04 -0.07 -0.01 0.10 0.04 0.10 0.05 0.03 0.11 -0.06 0.00 -0.01 -0.01 -0.06 -0.04 -0.01 -0.00 0.03 -0.02 0.04 -0.01 -0.08 0.03 -0.00 -0.01 0.01 -0.10 -0.03 0.00 0.01 -0.05 0.04 -0.04 0.05 0.05 -0.06 -0.12 -0.12 0.19 0.03 0.03 -0.00 -0.02 0.00 -0.01 0.31 0.06 -0.13 -0.02 0.01 -0.00 -0.00 -0.01 0.00 0.05 0.01 -0.01 -0.15 -0.03 0.06 0.02 0.03 -0.01 0.02 0.02 -0.00 0.01 0.04 0.00 0.03 -0.13 -0.03 0.01 -0.11 0.00 -0.01 -0.00 0.03 0.04 -0.06 0.15 -0.02 -0.01 -0.00 -0.01 -0.05 -0.07 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.23 0.06 -0.11 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.09 -0.02 -0.02 -0.08 0.04 0.08 -0.03 0.01 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.01 -0.01 -0.01 0.01 0.03 0.03 -0.02 0.04 0.01 -0.02 0.02 0.03 0.11 -0.00 0.07 -0.04 0.01 0.11 0.30 0.17 -0.23 0.25 0.00 0.00 -0.02 0.01 0.01 -0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 0.01 -0.01 -0.00 0.00 0.01 0.00 0.00 -0.01 -0.01 0.01 0.00 0.00 -0.39 -0.03 0.02 -0.07 -0.34 -0.19 0.00 0.00 0.02 0.01 0.01 -0.01 0.01 0.01 -0.03 -0.01 -0.00 -0.03 0.05 -0.08 -0.05 -0.03 -0.02 0.07 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.02 0.00 0.01 -0.03 0.03 0.00 -0.00 0.00 0.00 0.00 0.01 -0.11 -0.14 0.06 0.00 0.01 0.00 0.00 0.00 0.01 -0.00 0.02 -0.00 0.01 0.01 -0.00 -0.00 0.03 -0.01 -0.03 -0.02 -0.01 -0.02 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 0.01 -0.03 -0.00 -0.05 -0.03 -0.03 -0.02 0.01 0.05 0.02 -0.05 0.04 0.11 0.07 0.01 0.05 0.05 0.03 0.17 0.08 0.00 -0.00 0.00 -0.04 -0.10 -0.04 0.04 0.20 0.09 0.01 -0.09 -0.13 0.01 -0.03 -0.09 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.02 -0.12 -0.18 -0.02 -0.02 -0.03 0.21 -0.28 -0.22 0.15 0.00 0.02 -0.01 0.02 0.01 -0.02 -0.00 -0.00 -0.02 0.01 -0.01 -0.01 -0.01 0.00 -0.04 -0.02 0.03 -0.03 0.08 -0.03 -0.17 0.13 0.08 -0.04 0.00 0.25 0.15 -0.05 -0.12 -0.10 -0.11 -0.09 -0.02 0.09 0.31 0.14 -0.02 -0.29 -0.27 0.00 -0.15 -0.17 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.00 0.03 0.01 0.00 0.01 -0.02 0.04 0.01 0.02 0.01 -0.06 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.02 -0.00 -0.01 0.03 -0.05 -0.01 -0.00 0.00 -0.01 0.00 -0.01 -0.03 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.01 0.01 -0.01 -0.01 -0.01 -0.00 -0.03 0.01 0.03 0.00 0.00 0.01 -0.01 0.01 0.00 -0.00 0.01 0.02 -0.01 0.02 0.01 0.00 0.05 0.03 0.01 -0.01 0.01 -0.10 0.18 0.05 0.02 0.01 0.04 -0.01 -0.02 0.02 0.02 -0.02 -0.01 0.00 0.00 -0.13 0.04 -0.16 0.03 0.01 0.02 0.01 -0.02 -0.04 0.02 0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.04 0.11 -0.11 0.14 0.01 0.16 -0.18 -0.12 0.09 -0.01 -0.01 0.01 -0.01 -0.01 0.00 0.00 0.00 0.02 -0.01 0.01 0.01 0.01 0.00 0.03 0.02 -0.02 0.03 0.09 -0.12 0.45 -0.21 -0.32 0.13 0.00 0.02 -0.02 -0.14 -0.01 -0.40 -0.36 0.19 -0.09 0.05 0.03 0.03 0.02 -0.07 -0.06 0.02 0.03 -0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.01 0.06 -0.01 -0.03 -0.14 -0.11 0.04 0.18 -0.06 0.02 0.02 -0.03 0.12 0.06 0.00 -0.02 0.07 -0.06 0.03 0.07 0.10 -0.09 -0.10 -0.05 0.14 -0.07 -0.04 0.02 0.03 -0.00 -0.01 0.14 0.00 -0.13 0.10 -0.03 0.02 -0.00 0.00 -0.00 -0.06 0.02 -0.02 -0.07 0.02 0.08 -0.03 -0.05 0.03 -0.06 -0.07 0.01 -0.03 -0.09 -0.00 -0.08 0.30 0.01 -0.06 0.20 -0.06 0.02 0.03 -0.09 -0.13 -0.01 -0.17 0.04 0.02 -0.00 -0.01 0.12 0.06 0.01 -0.01 0.02 0.01 -0.00 0.01 0.00 0.00 0.01 -0.01 0.01 0.00 0.16 -0.06 -0.09 -0.02 0.01 -0.01 0.00 0.01 0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 0.01 0.03 0.05 -0.04 0.09 0.05 0.07 -0.02 -0.05 0.01 0.02 -0.02 0.02 -0.01 0.01 -0.02 -0.01 0.01 -0.02 -0.05 0.05 -0.10 -0.06 0.08 0.03 -0.01 -0.23 0.04 -0.05 -0.04 -0.18 -0.21 -0.30 -0.24 0.15 -0.27 0.01 -0.01 0.08 -0.02 -0.06 0.01 -0.02 0.01 0.01 -0.03 -0.00 -0.05 -0.05 0.02 -0.00 0.01 0.01 0.01 -0.01 -0.00 -0.01 -0.01 -0.01 -0.02 0.05 -0.11 0.12 -0.02 0.00 0.14 0.12 -0.04 -0.03 -0.00 -0.04 0.01 0.03 -0.00 -0.02 -0.03 -0.02 -0.01 -0.01 -0.01 -0.00 -0.04 0.01 0.01 -0.00 -0.00 0.00 0.01 0.01 -0.02 -0.04 -0.05 -0.05 -0.02 0.02 0.00 -0.03 0.00 0.03 -0.03 0.01 -0.03 -0.00 -0.01 0.00 0.01 -0.03 -0.00 0.00 -0.02 -0.04 0.01 -0.00 -0.01 -0.00 0.02 0.02 -0.01 -0.00 -0.02 -0.03 0.08 -0.03 -0.03 0.15 -0.01 0.03 0.02 -0.05 -0.03 0.02 0.26 -0.02 -0.00 -0.01 -0.04 0.02 -0.01 -0.01 -0.00 -0.01 -0.00 0.01 -0.00 0.00 0.00 -0.01 0.01 0.01 0.00 -0.04 0.02 0.01 0.01 -0.01 -0.00 0.00 0.01 0.00 0.01 -0.01 0.00 0.01 -0.00 0.00 -0.01 0.00 -0.01 0.01 -0.00 -0.01 -0.03 0.02 0.02 -0.01 -0.02 0.01 -0.01 0.01 0.00 -0.00 -0.01 0.00 -0.03 0.00 0.01 -0.00 0.01 0.03 0.09 -0.01 -0.15 0.03 -0.02 -0.02 -0.25 0.25 0.56 0.15 -0.36 0.46 -0.00 -0.01 -0.02 -0.00 0.01 -0.01 0.02 0.01 0.00 0.01 -0.00 0.02 0.03 -0.01 -0.01 -0.01 0.01 0.01 0.01 -0.02 -0.00 0.01 -0.01 0.01 -0.04 0.03 -0.02 -0.00 -0.00 -0.05 0.02 -0.00 0.01 -0.08 0.04 -0.10 0.02 0.01 -0.00 -0.01 -0.01 -0.00 0.00 0.02 0.01 -0.01 0.00 0.00 -0.17 -0.23 0.24 0.07 -0.09 -0.05 0.00 0.01 -0.00 0.01 -0.02 -0.02 0.07 0.02 -0.13 0.01 0.07 0.10 0.00 0.01 -0.00 -0.02 0.20 -0.08 -0.04 0.19 0.10 0.02 -0.00 -0.01 0.00 -0.03 -0.01 -0.00 -0.01 -0.01 -0.01 0.02 -0.01 -0.01 0.02 -0.01 0.00 0.00 -0.01 -0.02 0.01 0.04 0.02 0.01 0.00 -0.01 0.00 -0.00 0.01 -0.00 0.01 0.00 -0.01 0.01 0.00 -0.00 0.01 -0.01 -0.01 -0.00 0.08 0.00 -0.09 -0.02 0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.00 0.15 -0.06 0.04 -0.01 -0.21 0.03 0.03 -0.02 -0.03 0.01 0.02 -0.01 0.01 -0.01 -0.00 0.00 0.01 -0.00 0.04 -0.00 -0.01 0.00 -0.04 0.00 0.01 -0.00 -0.02 0.01 -0.01 -0.01 -0.04 0.13 0.15 0.02 -0.14 0.11 0.00 0.01 0.03 0.01 -0.02 0.01 -0.02 -0.02 -0.00 -0.02 0.00 -0.03 -0.04 0.02 0.01 0.01 -0.02 -0.01 -0.01 0.02 0.00 -0.01 0.01 -0.01 0.57 -0.13 0.02 0.07 0.19 0.36 0.01 0.02 0.06 0.02 0.01 0.00 0.05 0.06 -0.01 -0.03 -0.02 -0.11 0.03 0.08 0.02 -0.11 -0.04 0.22 0.01 0.02 -0.02 -0.00 0.01 -0.00 0.04 0.15 0.05 0.10 -0.13 -0.07 -0.01 -0.00 0.03 -0.00 -0.00 -0.00 0.01 0.04 -0.03 0.01 -0.02 0.02 0.01 -0.02 -0.01 0.07 0.01 -0.04 0.00 -0.17 -0.10 -0.00 -0.02 -0.08 -0.04 -0.01 -0.03 -0.00 0.03 -0.05 -0.01 -0.00 -0.06 -0.00 -0.00 0.00 0.12 0.01 0.00 -0.12 -0.07 0.01 0.10 0.01 0.04 0.02 -0.07 0.08 0.01 -0.02 0.10 -0.08 -0.06 -0.01 -0.01 0.01 0.02 -0.11 0.04 0.01 0.02 -0.07 -0.02 -0.08 0.08 -0.02 -0.05 0.05 -0.05 -0.02 0.00 -0.01 0.00 0.01 -0.00 0.20 -0.17 -0.14 0.08 0.14 -0.10 0.09 -0.08 -0.01 -0.01 0.05 -0.02 0.26 -0.01 -0.07 0.01 -0.21 -0.05 -0.07 -0.03 -0.15 0.04 -0.11 -0.02 -0.05 0.04 0.06 0.05 -0.05 0.03 0.01 0.07 -0.01 0.18 0.03 0.04 -0.19 -0.12 -0.01 -0.12 0.00 -0.20 -0.31 0.10 0.07 0.11 -0.13 -0.09 -0.10 0.15 -0.01 -0.03 0.08 -0.10 -0.07 0.03 -0.01 -0.00 -0.03 -0.05 -0.04 0.01 -0.04 -0.00 0.00 0.00 0.03 -0.04 0.03 -0.01 -0.01 -0.05 0.02 0.04 0.02 -0.04 -0.02 0.08 -0.01 -0.01 0.01 0.01 -0.00 -0.01 0.05 0.11 0.11 0.02 -0.01 -0.02 0.00 0.01 0.01 -0.01 0.01 -0.01 0.00 -0.03 0.02 0.01 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.03 0.02 -0.02 -0.06 0.00 0.01 -0.03 0.05 0.01 0.05 -0.01 0.06 -0.01 -0.06 -0.02 0.01 -0.09 0.07 -0.05 0.00 0.02 0.04 0.00 -0.06 -0.00 -0.01 -0.05 -0.04 0.05 -0.01 0.05 -0.10 -0.06 0.03 -0.10 0.06 0.07 -0.04 -0.00 0.02 0.00 0.08 -0.03 0.01 -0.10 0.06 0.01 0.04 -0.05 0.01 -0.04 -0.04 0.05 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.04 0.01 -0.10 -0.05 -0.10 0.09 -0.08 0.04 -0.02 0.06 -0.02 -0.01 0.07 -0.04 -0.05 -0.03 -0.05 0.02 -0.05 0.01 -0.10 -0.03 -0.02 -0.05 0.03 0.01 0.07 0.13 -0.10 0.04 0.05 -0.07 0.43 -0.33 -0.30 0.00 0.14 0.13 -0.03 0.08 -0.01 0.29 0.33 -0.10 -0.07 -0.17 0.11 0.07 0.10 -0.11 0.04 -0.05 -0.08 0.11 -0.03 0.02 -0.01 0.00 -0.02 -0.03 0.07 0.01 0.12 0.01 0.00 -0.01 -0.02 0.12 -0.05 -0.01 0.01 0.01 -0.03 0.06 0.05 -0.01 0.01 -0.01 0.02 0.02 -0.02 -0.01 0.00 0.02 -0.03 -0.09 -0.17 0.06 -0.08 -0.02 -0.01 -0.02 -0.02 0.02 -0.03 0.02 0.01 -0.02 0.01 -0.02 0.01 -0.01 0.01 0.01 0.02 0.08 0.04 -0.08 0.03 -0.05 -0.09 -0.02 -0.00 -0.16 -0.02 -0.09 -0.00 -0.09 0.03 0.09 0.02 -0.02 0.13 -0.11 0.08 -0.01 0.06 0.00 0.02 0.02 -0.04 0.01 -0.00 -0.04 0.06 0.00 0.03 -0.09 -0.07 0.03 -0.08 0.04 0.07 -0.04 0.00 -0.04 -0.00 0.05 -0.02 0.03 -0.11 0.05 0.01 0.02 -0.02 0.01 -0.06 -0.03 0.03 0.00 -0.00 0.01 -0.00 0.02 0.00 0.12 -0.14 0.04 -0.03 -0.07 0.07 -0.06 0.01 -0.03 0.06 -0.01 -0.01 0.13 0.05 0.01 0.04 -0.09 -0.03 0.02 -0.04 0.08 0.08 -0.06 0.09 -0.06 -0.00 -0.11 -0.20 0.15 -0.06 0.07 -0.06 0.36 -0.26 -0.23 0.02 0.09 0.12 -0.03 0.04 -0.02 0.28 0.28 -0.09 -0.05 -0.16 0.09 0.05 0.08 -0.06 0.05 -0.08 -0.08 0.08 0.05 -0.04 0.03 -0.01 0.03 0.06 0.03 0.01 0.04 -0.00 -0.04 -0.05 0.06 0.02 -0.01 0.02 -0.01 0.05 0.03 0.00 -0.01 0.05 -0.01 -0.05 -0.07 -0.09 0.07 0.03 -0.02 -0.07 -0.06 -0.01 -0.02 0.01 -0.02 0.00 0.12 0.12 0.17 -0.06 0.16 -0.08 0.00 -0.00 0.00 0.10 -0.04 0.15 -0.04 -0.06 -0.03 -0.03 0.01 -0.00 -0.06 -0.04 -0.02 -0.06 -0.03 -0.05 -0.06 0.07 -0.00 -0.08 -0.10 -0.02 0.01 -0.01 0.01 -0.09 -0.09 -0.06 0.02 0.00 0.01 0.02 0.06 0.01 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.01 -0.00 0.03 0.23 0.04 0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.02 0.01 -0.04 0.04 -0.07 0.00 0.06 -0.06 0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.01 0.03 -0.08 -0.05 0.05 0.10 0.04 0.16 0.03 0.13 -0.12 -0.05 -0.14 -0.12 -0.10 0.03 -0.11 0.01 0.00 0.01 -0.01 0.01 0.01 0.00 0.01 0.00 -0.00 -0.00 0.02 0.02 -0.01 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.43 0.27 -0.13 0.06 -0.28 -0.42 -0.00 0.01 0.02 0.01 0.01 0.00 -0.00 0.01 0.01 0.00 -0.00 0.02 0.01 0.02 -0.01 0.01 0.00 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.01 -0.01 0.03 -0.08 -0.01 -0.01 -0.01 0.00 -0.01 0.01 0.01 0.04 -0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.05 0.00 0.01 -0.04 -0.01 -0.04 -0.02 -0.02 -0.02 -0.00 0.01 -0.00 0.02 -0.04 -0.03 0.01 0.00 -0.04 0.04 -0.02 0.01 0.04 -0.03 0.08 0.01 0.02 0.00 -0.00 0.01 0.00 -0.02 -0.10 -0.05 0.01 -0.05 -0.04 -0.02 0.04 0.04 -0.00 -0.02 -0.00 0.02 0.02 -0.02 0.01 0.05 0.05 -0.03 -0.01 0.01 -0.01 -0.05 -0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.26 -0.41 0.66 0.02 0.04 -0.01 0.01 0.03 -0.02 0.02 0.04 -0.01 -0.05 0.01 0.03 -0.06 0.01 -0.03 0.00 0.02 0.00 0.01 0.02 -0.06 0.02 0.03 0.07 0.09 -0.07 0.05 -0.07 0.04 -0.20 0.05 0.22 0.06 -0.00 0.18 0.13 0.03 0.03 -0.02 0.04 0.04 -0.03 0.00 0.18 0.14 -0.03 0.03 0.04 -0.01 -0.04 -0.03 0.03 -0.02 0.01 -0.01 0.02 0.03 0.00 0.01 0.02 0.01 0.02 -0.00 0.00 0.01 0.01 0.01 -0.00 0.02 0.06 -0.06 -0.06 0.02 0.00 -0.03 0.01 0.01 -0.01 -0.00 0.00 0.00 -0.02 -0.00 0.01 -0.03 0.01 -0.05 -0.01 -0.01 -0.01 0.00 -0.02 0.01 -0.02 -0.06 0.02 -0.01 0.00 -0.01 0.01 0.00 0.01 -0.05 0.00 0.01 -0.05 -0.01 -0.03 -0.03 -0.01 -0.01 -0.01 0.01 -0.00 0.01 -0.05 -0.03 0.01 -0.00 -0.03 0.03 -0.01 0.02 0.00 -0.06 0.05 0.01 0.03 0.00 0.06 0.03 0.06 0.06 0.19 0.06 -0.06 0.11 0.06 0.05 -0.05 -0.11 -0.00 -0.02 0.00 -0.04 -0.04 0.06 -0.08 -0.08 -0.09 0.05 0.04 -0.04 -0.05 0.09 0.02 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.16 -0.31 0.49 -0.03 -0.06 0.03 -0.03 -0.07 0.01 -0.01 -0.05 0.01 -0.06 0.01 0.03 -0.05 0.00 -0.03 0.02 0.02 0.04 0.01 0.05 -0.07 0.01 0.05 0.08 0.09 -0.08 0.06 0.17 -0.06 -0.00 0.02 0.09 0.08 0.01 -0.26 -0.24 -0.06 -0.08 0.16 0.01 -0.10 0.05 -0.07 -0.30 -0.24 0.09 -0.04 -0.04 -0.06 0.06 0.09 0.03 -0.02 0.01 -0.01 0.02 0.03 -0.03 -0.01 -0.00 -0.01 -0.10 0.10 -0.08 -0.01 0.01 -0.02 0.01 -0.02 -0.04 -0.01 0.01 -0.04 0.01 0.07 -0.04 -0.05 0.06 0.01 -0.03 -0.01 0.06 -0.07 -0.04 -0.02 0.04 -0.06 0.04 0.07 -0.01 -0.03 0.07 -0.10 -0.00 -0.01 0.00 -0.00 -0.00 -0.02 -0.07 -0.01 -0.07 0.05 -0.01 -0.01 0.10 0.06 -0.00 0.08 0.03 0.03 0.06 -0.05 -0.00 0.09 0.22 0.04 -0.00 0.03 -0.02 0.04 0.01 -0.06 -0.00 -0.04 0.03 -0.01 -0.07 0.01 0.02 0.00 0.01 0.01 0.02 0.00 -0.02 0.02 0.01 0.01 -0.00 -0.02 0.02 0.10 -0.02 -0.01 -0.01 0.01 -0.02 -0.01 -0.01 0.01 0.01 -0.01 -0.02 0.01 -0.00 0.00 0.03 -0.02 -0.00 -0.04 -0.01 0.09 -0.22 0.47 -0.00 -0.01 0.00 -0.01 -0.01 -0.00 0.00 -0.01 0.00 -0.01 -0.00 0.00 0.13 0.08 -0.11 -0.17 -0.06 -0.31 -0.01 -0.25 0.21 0.03 -0.23 -0.24 -0.11 0.22 -0.19 0.03 -0.02 -0.06 0.02 0.08 0.04 0.00 -0.03 -0.04 -0.01 -0.02 0.04 0.01 -0.02 0.01 -0.02 -0.03 -0.03 0.02 0.00 -0.00 -0.02 -0.00 0.01 -0.01 0.08 -0.05 0.01 0.00 -0.05 0.09 -0.02 -0.14 0.06 -0.00 0.08 0.06 -0.02 0.01 0.08 0.02 -0.21 0.05 -0.01 -0.03 -0.05 -0.04 -0.07 -0.01 -0.01 0.03 0.01 -0.01 0.01 -0.02 0.16 0.13 -0.02 0.02 -0.05 -0.00 0.02 -0.05 -0.01 0.00 -0.05 0.00 0.01 -0.00 -0.02 0.01 -0.06 -0.04 0.01 -0.05 -0.03 -0.05 0.00 -0.08 -0.06 0.00 -0.05 -0.01 0.03 -0.04 0.04 0.13 -0.08 -0.02 0.21 0.04 -0.08 0.27 -0.12 0.06 0.04 0.01 -0.00 0.04 -0.04 -0.02 -0.08 0.00 0.02 0.02 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.01 0.00 0.01 0.01 -0.02 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.00 0.02 -0.01 -0.02 -0.01 -0.01 0.12 -0.18 0.24 0.00 0.00 0.00 0.00 0.01 -0.00 0.01 0.01 -0.00 0.04 -0.06 -0.10 -0.11 -0.05 0.05 0.12 -0.05 0.36 -0.04 0.06 0.25 0.02 -0.12 -0.18 -0.29 0.31 -0.11 -0.01 0.01 -0.06 0.02 0.10 0.04 0.00 0.02 0.01 0.01 0.01 0.00 0.02 0.01 -0.01 -0.01 0.01 0.01 -0.01 -0.02 -0.00 -0.00 0.02 0.01 0.11 -0.01 -0.01 -0.02 0.07 0.08 -0.01 0.02 0.08 0.13 -0.00 0.24 0.04 0.05 -0.02 -0.00 -0.01 0.07 0.03 0.00 -0.01 0.04 0.00 -0.01 -0.02 -0.04 0.07 0.02 -0.03 0.01 -0.07 -0.03 -0.03 0.03 -0.06 0.10 -0.02 0.05 -0.13 -0.05 0.01 -0.13 0.00 0.00 -0.00 -0.05 0.02 -0.15 -0.10 0.02 -0.13 -0.09 0.04 -0.00 -0.10 -0.04 -0.04 -0.08 -0.03 -0.09 -0.03 0.02 -0.03 0.02 -0.12 -0.09 0.02 0.00 -0.08 0.09 -0.05 0.03 -0.00 0.03 -0.03 0.02 0.05 0.02 -0.01 0.00 -0.01 -0.01 0.00 0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.02 0.03 -0.05 0.01 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.01 0.00 0.01 0.00 0.00 -0.01 0.05 -0.04 -0.05 -0.04 -0.04 -0.11 0.24 -0.50 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.08 0.04 0.06 -0.14 -0.04 0.05 0.08 0.05 0.07 0.03 0.12 -0.19 0.02 -0.10 0.03 0.21 0.06 0.01 -0.01 0.01 0.06 -0.02 -0.06 -0.03 -0.00 -0.00 0.01 0.01 0.01 -0.02 -0.01 0.01 -0.00 0.01 -0.00 0.00 -0.01 -0.01 -0.01 0.02 0.01 -0.00 0.30 -0.02 -0.04 -0.08 0.19 0.22 0.01 -0.00 -0.02 0.02 0.01 0.01 -0.01 -0.02 0.00 0.01 -0.00 0.00 -0.08 0.06 0.06 0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.02 0.02 0.03 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.03 -0.08 0.01 -0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.03 0.00 0.03 0.02 0.05 0.02 0.01 0.03 0.05 -0.02 0.02 0.00 -0.03 -0.04 -0.01 -0.01 -0.00 -0.00 -0.03 0.00 0.01 0.04 -0.00 -0.01 -0.00 0.03 -0.00 0.05 -0.09 -0.06 0.06 -0.17 -0.12 -0.05 0.11 0.14 0.09 -0.06 -0.08 0.00 -0.00 -0.00 -0.12 -0.03 0.12 -0.02 0.12 0.00 0.13 0.21 0.02 -0.01 -0.13 -0.17 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.01 0.08 0.01 -0.02 -0.03 -0.01 -0.18 -0.03 -0.01 -0.03 -0.01 -0.07 0.01 0.02 0.01 0.07 -0.01 0.04 0.02 0.07 -0.02 0.07 -0.06 -0.03 0.01 0.01 -0.01 0.01 0.01 0.02 -0.05 0.08 -0.04 -0.17 -0.07 0.03 -0.06 -0.06 -0.15 -0.10 0.10 -0.17 -0.09 0.14 0.07 0.16 0.00 0.17 0.42 0.17 -0.05 -0.38 -0.22 0.03 -0.00 -0.00 -0.01 0.01 0.02 -0.02 -0.02 -0.03 0.08 0.04 0.05 0.02 -0.06 0.03 -0.04 -0.03 0.08 -0.05 -0.00 0.03 0.03 -0.01 0.07 0.01 -0.00 0.01 0.01 -0.00 0.01 0.06 0.03 -0.05 -0.01 0.07 -0.10 -0.00 0.01 -0.02 -0.00 -0.00 -0.02 0.00 0.01 -0.00 -0.01 0.00 -0.03 -0.02 -0.00 -0.02 0.23 0.00 0.01 0.18 0.01 0.13 0.07 0.01 0.09 -0.05 0.03 -0.11 -0.19 -0.16 -0.09 -0.11 0.00 -0.06 -0.23 0.02 0.00 -0.01 -0.01 -0.04 -0.01 0.05 0.01 0.00 -0.01 -0.01 -0.00 0.03 0.03 0.01 -0.02 -0.02 -0.02 0.02 0.01 0.01 0.00 -0.00 0.02 0.00 -0.02 0.00 -0.03 -0.00 -0.03 -0.04 -0.01 -0.01 0.03 0.03 -0.02 0.01 -0.01 -0.03 -0.01 -0.03 0.06 -0.15 0.38 0.00 0.01 0.00 0.00 0.03 0.00 0.00 0.01 0.00 0.29 -0.01 -0.06 0.26 -0.07 0.12 0.02 0.08 0.17 -0.03 0.20 -0.31 -0.24 0.03 0.02 -0.13 0.07 0.01 0.01 -0.01 0.02 0.01 -0.06 -0.03 -0.02 0.01 0.00 0.02 0.02 -0.02 0.02 0.02 -0.02 -0.01 -0.05 -0.01 -0.03 -0.09 -0.04 -0.00 0.08 0.04 0.10 -0.00 -0.02 -0.05 0.04 0.10 -0.02 -0.00 0.01 -0.00 0.00 -0.00 0.04 0.03 0.01 -0.01 -0.00 -0.01 0.04 -0.02 0.03 -0.01 0.00 0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.02 -0.05 -0.01 0.03 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.03 -0.06 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.07 0.02 -0.04 -0.02 -0.06 0.04 -0.05 -0.07 -0.08 0.02 0.01 -0.01 0.02 0.01 0.01 0.01 -0.00 0.02 0.03 -0.02 -0.01 -0.05 0.06 -0.03 -0.01 -0.02 -0.00 -0.16 0.03 -0.04 -0.10 0.07 0.01 0.07 0.18 0.04 -0.04 -0.10 -0.00 -0.00 -0.00 -0.00 0.07 -0.01 -0.11 0.08 0.03 0.00 -0.01 0.05 0.14 0.12 -0.10 -0.01 0.01 -0.00 0.00 0.01 0.00 0.01 0.13 -0.18 0.35 -0.10 -0.17 0.07 -0.04 0.16 0.12 -0.12 -0.18 0.07 0.14 0.01 -0.04 -0.04 -0.11 0.21 -0.04 -0.02 -0.02 0.02 -0.05 0.05 0.04 -0.02 -0.01 0.02 -0.01 -0.01 -0.17 0.05 0.07 -0.19 -0.06 -0.06 0.05 -0.26 -0.14 0.06 -0.04 -0.20 -0.07 -0.01 -0.07 -0.02 -0.13 -0.06 -0.07 0.12 0.11 0.12 -0.24 -0.16 -0.02 -0.00 0.01 0.01 -0.00 -0.02 0.00 -0.00 -0.00 0.02 0.00 0.03 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.12 0.01 -0.04 -0.12 -0.06 -0.03 0.00 0.01 0.00 0.00 0.00 -0.00 -0.04 -0.01 -0.04 0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.05 0.03 -0.06 -0.01 0.04 -0.02 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.02 -0.01 -0.01 -0.00 -0.01 -0.01 0.02 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.04 -0.03 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.17 0.01 0.00 0.24 0.02 0.20 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 -0.00 0.00 0.01 -0.00 0.01 0.00 -0.00 0.01 -0.00 0.00 0.01 0.01 0.02 -0.00 0.02 -0.03 -0.02 0.01 0.01 0.01 0.02 0.01 0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 0.01 -0.47 -0.07 0.11 0.38 0.01 -0.66 -0.08 0.01 0.01 -0.00 0.03 -0.01 0.02 0.04 0.00 0.01 -0.06 -0.13 -0.05 -0.01 0.04 -0.07 -0.08 0.07 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.01 -0.13 -0.16 0.00 0.07 0.02 -0.02 -0.01 0.00 -0.01 -0.01 0.01 0.01 0.03 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.12 0.06 -0.03 0.07 0.04 0.10 -0.05 -0.08 -0.10 0.03 0.31 0.06 0.08 -0.07 0.03 0.08 -0.07 0.15 0.15 -0.12 -0.01 -0.03 0.01 -0.05 -0.15 0.11 -0.04 -0.02 -0.03 -0.04 0.00 -0.03 0.02 -0.06 -0.09 -0.00 0.06 0.02 0.08 0.00 -0.01 -0.01 -0.08 0.00 0.09 -0.02 -0.00 -0.08 0.08 -0.04 -0.09 0.04 0.08 -0.00 0.00 -0.01 0.00 0.01 0.00 0.01 -0.01 -0.00 0.26 0.07 0.13 -0.06 0.03 -0.15 -0.08 0.07 0.11 -0.05 0.06 0.07 0.03 0.04 -0.03 0.29 0.03 -0.04 0.24 0.04 0.00 0.13 0.19 -0.07 0.01 0.15 -0.12 -0.01 -0.00 -0.04 0.03 -0.02 -0.13 -0.07 0.03 0.09 0.13 -0.08 0.01 0.08 -0.07 0.02 0.09 0.04 0.04 -0.07 0.05 -0.07 -0.15 0.03 0.14 0.13 -0.02 -0.02 0.01 0.01 0.00 -0.01 0.01 0.03 0.03 0.01 0.02 0.00 -0.08 -0.03 -0.02 0.02 -0.04 -0.07 -0.03 0.02 0.03 -0.02 -0.06 0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.13 -0.02 0.05 -0.06 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.07 -0.08 -0.00 0.07 0.08 -0.11 0.11 0.11 0.10 -0.01 0.20 0.05 0.00 -0.07 0.00 0.03 -0.04 0.05 0.02 -0.04 0.00 0.05 -0.02 -0.03 -0.10 0.12 -0.03 0.08 -0.02 -0.02 0.04 0.05 -0.01 0.09 0.09 0.01 -0.10 0.02 -0.11 0.00 -0.00 -0.00 0.12 0.00 -0.12 0.02 -0.05 0.13 -0.15 0.03 0.09 -0.11 -0.06 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.07 -0.08 -0.15 0.07 -0.03 0.21 0.11 -0.09 -0.13 0.06 -0.15 -0.07 0.06 0.10 0.20 -0.41 0.08 0.00 0.19 0.02 0.08 -0.04 0.03 -0.01 0.02 0.04 -0.05 0.01 0.08 -0.02 -0.02 0.10 -0.04 -0.03 -0.08 -0.09 -0.19 0.12 0.01 -0.09 0.12 -0.02 -0.12 -0.03 -0.14 0.09 -0.08 -0.02 0.15 -0.08 -0.09 -0.16 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.03 -0.01 -0.01 0.00 0.00 -0.00 0.03 0.00 0.02 -0.01 -0.01 -0.01 0.00 -0.01 -0.12 -0.01 -0.00 0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.00 -0.05 -0.06 0.04 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.09 0.06 0.00 0.02 -0.00 0.05 -0.03 -0.07 -0.04 0.02 0.03 -0.01 0.00 -0.00 0.00 0.00 -0.01 0.02 0.01 -0.02 -0.00 -0.01 -0.10 0.18 -0.01 -0.00 -0.01 0.04 0.04 0.12 0.03 -0.02 -0.04 0.01 0.02 -0.01 -0.01 -0.01 -0.08 0.00 -0.00 -0.00 0.03 -0.00 -0.02 -0.02 0.03 0.05 -0.01 0.05 0.03 -0.06 -0.06 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.23 0.32 -0.48 -0.02 -0.05 0.02 -0.01 0.05 0.02 -0.02 -0.04 0.01 0.10 0.06 -0.01 0.05 -0.10 0.18 0.00 -0.01 0.02 -0.00 -0.00 0.02 0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.03 0.00 -0.25 0.11 0.45 0.24 -0.00 0.02 -0.06 0.03 -0.00 0.03 0.08 -0.02 -0.04 -0.03 0.08 0.09 0.04 0.12 0.13 -0.06 -0.09 -0.05 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.03 0.03 0.05 0.01 0.01 0.00 -0.06 -0.04 -0.01 -0.01 -0.02 -0.01 0.06 0.00 -0.07 -0.00 -0.02 0.03 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.04 -0.06 -0.01 -0.04 -0.06 -0.05 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.14 -0.06 0.02 -0.02 -0.14 0.12 0.10 0.10 0.01 0.07 -0.01 -0.03 -0.04 -0.01 -0.01 -0.01 0.01 -0.05 -0.01 0.00 -0.01 -0.01 0.13 -0.04 0.05 -0.02 -0.15 0.09 0.11 -0.13 -0.01 0.01 -0.07 0.02 -0.03 0.04 -0.09 0.13 0.00 -0.00 -0.00 -0.05 0.00 0.02 -0.01 0.10 -0.14 0.11 -0.01 0.01 0.17 -0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 0.00 -0.05 0.05 -0.30 0.02 0.04 -0.01 0.00 -0.06 -0.02 0.02 0.02 -0.01 0.08 -0.15 -0.04 0.07 0.09 -0.47 0.02 0.01 0.06 0.04 0.03 -0.07 -0.05 -0.00 0.00 -0.04 0.00 -0.00 -0.18 0.11 0.00 -0.18 0.29 0.17 0.10 -0.05 0.14 -0.06 -0.02 0.01 -0.06 0.01 0.03 -0.06 0.12 -0.11 -0.02 0.09 -0.07 0.14 -0.05 0.09 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.04 0.02 -0.00 -0.06 -0.16 -0.02 -0.00 0.01 0.00 0.01 -0.03 -0.01 -0.00 0.00 -0.00 0.00 -0.03 0.01 -0.03 0.04 0.06 -0.01 -0.07 0.04 0.01 0.01 0.01 0.01 -0.01 -0.01 0.08 0.03 -0.02 0.05 0.02 -0.02 -0.00 0.00 -0.00 -0.05 -0.03 0.05 0.02 -0.02 -0.01 0.02 0.05 0.02 0.02 -0.00 -0.00 0.01 -0.01 -0.01 -0.01 0.01 -0.01 -0.00 -0.15 -0.05 0.06 -0.09 -0.02 0.14 0.48 0.05 0.01 -0.01 0.01 -0.04 0.08 -0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.01 -0.10 -0.01 0.07 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 0.01 0.00 0.00 0.05 0.04 -0.09 -0.02 0.03 -0.06 0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.02 0.05 0.03 0.04 -0.04 0.02 0.19 -0.00 0.27 0.02 0.19 -0.22 0.16 0.38 -0.03 0.16 0.39 0.09 -0.01 0.00 -0.00 -0.01 0.01 0.01 0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.02 -0.01 -0.00 -0.01 0.01 -0.01 0.00 0.11 0.09 -0.12 0.03 0.00 -0.02 -0.01 0.00 -0.00 -0.02 -0.07 0.02 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.09 -0.14 -0.17 0.05 0.22 -0.13 0.01 0.00 0.01 0.01 -0.01 -0.00 -0.08 -0.03 0.03 -0.03 0.05 -0.00 -0.00 0.00 -0.00 0.11 0.07 -0.11 -0.12 0.04 0.02 -0.00 0.03 0.02 0.01 0.00 -0.00 0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.05 -0.02 0.01 -0.03 -0.02 0.04 0.18 0.03 0.01 -0.01 0.00 -0.01 0.03 -0.01 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.01 0.14 0.04 -0.11 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.01 0.00 0.00 -0.18 -0.13 0.30 0.05 -0.10 0.17 0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.01 0.03 0.02 0.02 -0.02 0.01 0.08 0.00 0.10 -0.00 0.09 -0.10 0.06 0.10 -0.05 0.04 0.23 0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 0.01 -0.01 0.00 -0.38 -0.28 0.40 -0.13 -0.16 0.13 0.04 -0.05 -0.04 0.01 0.02 -0.01 -0.06 0.04 0.08 0.01 -0.01 -0.02 -0.09 0.05 0.01 -0.01 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.09 -0.02 0.09 0.12 -0.02 0.03 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.01 0.00 -0.00 -0.11 0.21 0.12 0.08 0.09 -0.12 0.08 -0.19 -0.15 0.04 0.03 0.03 -0.01 -0.01 0.03 -0.12 0.03 -0.06 -0.07 -0.03 0.01 0.10 -0.11 0.08 -0.02 0.01 -0.01 -0.02 -0.10 -0.05 -0.07 -0.01 0.01 -0.03 0.11 0.01 -0.01 -0.00 0.11 -0.01 -0.00 0.00 0.02 0.00 -0.04 -0.03 0.02 -0.10 -0.00 -0.05 0.01 0.07 0.05 0.04 0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.03 0.08 -0.09 -0.03 -0.05 0.04 -0.01 0.09 0.04 -0.03 -0.07 0.02 -0.35 0.24 0.18 0.07 0.02 0.03 0.05 0.07 0.06 -0.22 0.19 -0.09 -0.01 -0.09 -0.07 -0.14 0.08 -0.05 -0.05 -0.09 -0.17 0.02 0.09 0.01 0.01 -0.12 0.03 0.01 -0.01 -0.01 0.03 -0.01 -0.04 -0.11 -0.20 -0.21 -0.10 -0.18 -0.16 0.05 -0.10 0.00 0.01 0.00 -0.01 0.01 -0.00 -0.00 0.01 -0.00 0.00 0.03 0.02 0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.01 0.08 -0.08 -0.09 0.02 0.12 -0.03 0.00 -0.00 -0.01 -0.01 0.00 0.01 0.36 0.01 -0.17 -0.01 0.10 -0.03 -0.00 -0.00 0.00 -0.34 0.01 0.12 0.18 0.11 -0.14 -0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 -0.00 0.00 0.01 0.01 -0.03 0.02 -0.00 -0.01 -0.06 0.01 -0.01 0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.01 0.00 0.01 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.35 0.01 0.12 -0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.21 0.12 -0.05 -0.06 0.09 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 -0.00 0.00 -0.01 -0.01 -0.01 0.01 -0.01 -0.04 0.01 -0.02 -0.03 -0.01 0.02 0.00 -0.08 -0.01 -0.00 -0.01 -0.01 0.00 0.01 0.01 -0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.01 0.01 0.02 0.02 0.01 0.02 0.02 -0.00 0.01 0.00 -0.10 -0.33 0.19 -0.04 -0.43 0.14 -0.03 0.04 0.02 0.00 -0.00 0.01 0.03 -0.02 -0.01 -0.00 0.01 0.02 -0.06 0.07 -0.00 0.01 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.04 0.05 -0.01 0.05 0.10 -0.03 0.01 0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.03 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.03 -0.14 -0.08 -0.03 0.00 0.03 -0.05 0.03 0.04 -0.04 -0.03 -0.02 -0.01 0.02 -0.02 0.11 -0.03 0.03 0.00 0.00 -0.01 0.08 -0.08 0.12 0.02 -0.01 0.00 -0.04 -0.14 -0.09 -0.02 -0.09 -0.09 0.02 0.15 0.08 0.00 0.11 0.04 -0.01 -0.00 0.01 0.01 0.01 0.01 0.01 -0.07 -0.04 -0.01 -0.07 -0.03 0.03 0.10 0.08 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.18 -0.15 -0.03 -0.07 0.01 -0.02 0.02 0.02 -0.04 -0.04 0.01 0.14 -0.16 -0.14 -0.13 0.10 0.05 0.01 -0.06 -0.06 0.17 -0.13 0.05 -0.05 0.07 0.07 0.07 -0.10 0.05 -0.09 -0.12 -0.26 -0.01 0.11 -0.02 0.03 0.04 -0.03 -0.01 -0.03 -0.02 -0.06 -0.02 0.04 -0.03 -0.42 -0.25 -0.03 -0.35 -0.19 0.02 -0.10 -0.07 -0.01 -0.01 0.01 -0.00 -0.01 0.00 -0.07 0.00 -0.03 0.00 0.01 0.01 0.02 0.02 -0.06 0.05 0.02 0.02 -0.02 0.03 0.01 -0.01 -0.01 -0.06 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.10 -0.01 0.01 0.04 -0.05 -0.07 0.01 0.00 -0.01 -0.00 0.00 -0.00 0.02 0.05 -0.01 -0.01 -0.00 0.00 0.01 0.00 -0.01 0.02 0.05 0.11 0.06 -0.03 0.08 -0.04 0.11 0.04 -0.11 -0.06 0.02 0.00 0.06 -0.03 0.17 -0.06 0.02 0.00 -0.04 -0.03 0.07 -0.04 -0.01 -0.00 0.02 0.05 0.12 -0.05 0.02 -0.03 0.02 0.12 -0.08 -0.01 -0.06 -0.02 -0.14 0.15 -0.01 0.00 0.00 0.06 -0.01 -0.12 -0.12 0.13 -0.11 0.01 0.04 0.04 -0.00 -0.02 -0.03 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.05 -0.05 -0.09 -0.03 -0.01 0.07 0.01 0.24 0.08 -0.03 -0.10 0.04 -0.02 0.06 0.11 0.14 -0.14 0.10 0.10 -0.09 -0.08 0.16 -0.10 0.06 -0.11 0.08 0.13 0.11 -0.21 0.07 0.12 -0.06 -0.01 0.23 -0.07 0.01 -0.09 -0.30 0.07 0.08 0.02 0.01 0.20 -0.00 -0.18 -0.17 0.10 -0.11 -0.12 0.02 -0.10 -0.05 -0.20 0.03 -0.01 -0.01 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.02 0.03 -0.01 -0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.01 0.00 0.02 -0.00 -0.01 -0.00 0.02 0.01 0.01 -0.00 0.00 0.00 -0.00 0.01 0.05 -0.02 -0.02 0.48 0.10 -0.21 0.00 0.00 0.00 0.27 0.06 -0.14 -0.45 -0.06 0.21 -0.01 0.01 -0.00 -0.00 0.01 -0.02 0.01 -0.03 -0.01 0.01 0.02 0.01 0.01 0.02 0.00 0.02 0.00 0.01 -0.03 -0.06 -0.02 -0.01 0.00 -0.01 0.01 -0.02 -0.00 0.00 0.01 0.01 0.00 0.01 0.01 -0.00 -0.02 -0.01 0.00 -0.01 -0.01 -0.47 -0.06 0.20 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.01 0.03 -0.06 0.01 -0.04 -0.00 -0.00 -0.00 -0.00 0.03 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.03 0.01 -0.00 -0.01 0.02 -0.01 -0.01 -0.01 -0.03 0.01 -0.03 0.05 -0.04 0.05 0.07 0.02 -0.17 0.04 0.01 0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.04 0.03 0.01 0.03 0.02 -0.00 0.01 0.01 -0.00 -0.06 0.01 0.01 -0.16 0.05 -0.06 -0.02 -0.05 0.00 0.01 0.01 -0.02 0.03 -0.04 0.05 0.01 0.01 0.06 0.02 -0.02 -0.01 -0.02 -0.04 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.04 -0.06 0.01 -0.03 -0.13 -0.06 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.06 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.02 0.17 0.17 0.06 -0.06 -0.00 0.05 0.08 0.02 -0.06 -0.04 0.02 -0.00 0.05 -0.02 0.12 -0.06 -0.00 -0.04 -0.04 -0.02 0.02 0.03 0.03 -0.02 0.04 0.04 -0.08 0.09 0.02 -0.02 -0.04 -0.12 0.05 0.07 0.05 -0.01 0.09 -0.08 -0.01 -0.00 0.00 -0.05 0.02 0.09 0.09 -0.09 0.03 -0.03 -0.07 -0.01 0.07 0.02 0.04 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.04 -0.17 -0.08 0.01 -0.01 -0.05 -0.01 -0.18 -0.06 0.02 0.05 -0.03 -0.09 0.19 0.24 0.27 -0.26 -0.06 0.16 -0.06 -0.02 0.06 0.01 0.00 -0.11 0.04 0.09 0.02 -0.15 0.04 -0.11 0.13 0.15 -0.26 0.06 0.02 0.09 0.30 0.02 -0.07 -0.03 -0.00 -0.16 0.00 0.13 0.09 -0.09 0.03 0.02 0.02 0.08 0.11 0.19 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.09 0.05 -0.00 0.01 0.01 0.01 -0.02 -0.05 0.12 -0.11 -0.04 0.02 -0.02 -0.03 0.01 0.08 0.05 0.08 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.09 0.05 0.05 0.02 0.02 0.08 0.01 0.01 -0.00 -0.02 -0.00 0.00 -0.00 0.01 0.00 -0.02 -0.00 0.01 0.02 0.00 -0.01 -0.05 0.04 -0.05 -0.02 0.10 -0.14 0.05 -0.17 -0.04 0.02 -0.01 -0.09 -0.04 0.06 -0.05 0.34 -0.16 0.07 -0.18 0.00 -0.03 -0.04 0.00 -0.03 0.06 -0.02 -0.12 -0.01 0.02 0.00 0.01 0.05 0.03 0.00 -0.05 -0.02 0.00 -0.02 -0.03 0.02 0.00 -0.01 -0.01 -0.00 0.01 0.01 0.00 0.02 0.00 0.02 0.00 -0.01 -0.03 -0.02 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.01 0.02 0.13 0.02 0.03 -0.01 0.01 -0.04 -0.02 0.02 0.03 -0.01 -0.12 0.04 -0.08 -0.09 0.18 -0.15 0.33 -0.18 0.00 0.36 -0.11 0.00 -0.31 0.13 0.15 -0.04 -0.20 0.10 0.02 -0.00 0.01 -0.00 -0.02 -0.01 -0.00 -0.01 -0.02 -0.00 0.01 0.01 0.00 0.01 0.01 0.03 0.13 0.10 0.02 0.10 0.07 0.00 0.07 0.03 -0.01 0.01 0.00 -0.00 0.01 -0.00 -0.00 0.01 0.01 0.00 0.00 0.00 -0.01 0.03 -0.00 0.06 0.01 0.00 -0.04 -0.01 0.00 -0.03 -0.03 -0.04 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.02 0.04 0.04 0.04 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.03 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.07 -0.02 0.04 0.03 0.00 0.00 -0.04 -0.05 -0.03 -0.04 0.02 0.00 -0.00 -0.01 0.01 0.02 -0.03 -0.01 0.00 -0.00 0.00 -0.03 -0.00 -0.04 0.05 0.06 0.01 -0.01 -0.00 -0.00 0.04 0.02 0.00 0.07 0.02 -0.01 -0.04 -0.01 0.00 -0.00 0.00 0.00 0.02 -0.00 -0.00 -0.04 -0.05 -0.02 -0.07 -0.02 0.02 -0.05 -0.03 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.07 0.02 -0.01 -0.04 0.01 -0.01 0.01 0.02 -0.02 -0.06 0.01 0.03 -0.08 -0.06 -0.03 0.07 0.04 -0.04 0.00 -0.06 0.05 -0.05 -0.01 -0.03 0.02 0.02 0.00 -0.03 0.01 0.05 -0.04 -0.03 0.02 -0.00 -0.00 0.03 0.30 0.20 -0.01 -0.01 -0.00 -0.01 -0.02 0.01 -0.01 0.31 0.18 0.00 0.45 0.29 0.06 0.50 0.31 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.01 0.00 0.00 0.00 -0.02 0.05 -0.01 0.13 0.02 0.01 -0.03 -0.01 -0.01 -0.07 -0.07 -0.08 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.03 0.01 0.07 0.03 0.04 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.02 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.03 -0.09 -0.02 0.06 0.03 -0.02 0.03 -0.06 -0.10 -0.05 -0.08 0.05 0.00 0.00 -0.01 0.04 0.02 -0.05 -0.04 -0.00 -0.00 -0.02 -0.02 0.01 -0.09 0.11 0.12 -0.06 0.02 -0.01 0.00 0.08 0.01 0.01 -0.15 -0.08 -0.00 0.04 -0.05 0.00 -0.00 0.00 -0.05 -0.02 0.06 0.05 0.04 0.08 0.00 0.08 0.05 0.03 -0.01 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.02 0.07 0.02 0.06 0.12 -0.05 0.01 -0.19 -0.08 0.08 0.12 -0.04 0.07 -0.10 -0.06 0.01 0.06 0.02 -0.04 0.00 -0.11 0.09 -0.07 -0.04 -0.08 0.04 0.05 -0.02 -0.06 0.03 -0.04 -0.00 -0.02 -0.09 0.07 0.01 0.01 -0.34 -0.32 -0.04 0.02 0.06 -0.01 0.03 0.04 0.06 -0.10 -0.01 -0.00 -0.35 -0.20 0.02 -0.36 -0.30 -0.01 0.01 0.00 -0.00 0.01 -0.00 0.03 -0.02 -0.02 -0.01 0.00 -0.00 -0.02 0.11 -0.10 -0.15 -0.21 0.03 0.00 -0.00 -0.00 0.24 -0.02 0.12 0.00 0.02 -0.00 -0.01 -0.00 0.01 -0.01 0.01 0.10 -0.01 0.01 -0.02 -0.02 -0.02 0.01 -0.00 0.02 -0.00 0.00 0.00 -0.00 0.01 0.01 0.01 -0.01 0.01 0.00 -0.04 -0.11 0.10 0.03 -0.05 0.08 0.01 0.03 -0.10 -0.01 -0.29 -0.12 0.04 0.10 0.03 -0.07 0.06 0.15 0.05 -0.05 0.01 -0.00 -0.00 0.00 -0.12 0.51 -0.29 -0.00 0.00 0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.03 -0.05 -0.02 -0.01 0.01 -0.01 -0.01 0.01 -0.02 -0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.08 -0.11 0.07 0.02 -0.09 0.18 -0.20 0.01 0.02 -0.09 -0.11 0.32 0.11 -0.11 -0.07 -0.05 0.03 -0.05 -0.01 0.00 -0.01 0.00 0.01 0.01 -0.00 0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.04 -0.05 -0.02 0.02 -0.04 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.02 -0.04 -0.08 -0.00 -0.01 -0.05 0.04 -0.00 0.05 0.06 0.04 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.05 -0.00 -0.01 0.07 0.02 -0.06 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.03 -0.04 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.05 -0.03 0.06 0.02 -0.03 0.06 -0.03 0.06 0.02 0.00 0.07 -0.01 -0.01 -0.01 -0.00 -0.03 -0.01 0.03 0.04 0.00 -0.01 0.10 -0.10 0.07 0.08 -0.12 -0.08 0.02 -0.06 -0.08 -0.03 0.19 0.02 -0.01 -0.08 -0.11 -0.07 0.01 -0.06 -0.00 0.00 -0.00 -0.11 0.04 0.09 0.08 0.02 -0.02 -0.11 -0.02 0.11 0.17 -0.08 -0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.07 0.05 -0.10 0.11 0.18 -0.05 0.03 -0.36 -0.11 0.12 0.04 -0.06 -0.08 -0.03 0.06 -0.01 -0.02 0.10 0.01 0.00 0.07 -0.06 0.04 0.02 0.05 0.01 -0.01 0.06 0.01 -0.01 0.15 -0.15 -0.03 -0.07 -0.01 -0.06 0.05 -0.17 -0.23 -0.10 0.06 0.21 0.03 -0.01 0.05 0.00 0.30 0.19 -0.18 0.05 0.07 0.22 0.20 -0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.01 0.01 -0.02 -0.00 0.01 -0.01 -0.02 -0.01 -0.00 0.00 -0.00 -0.00 0.02 0.00 0.01 -0.04 -0.13 0.01 0.05 0.03 -0.09 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.13 0.14 -0.11 0.07 -0.17 0.02 0.00 0.00 -0.00 -0.05 -0.07 -0.04 0.04 -0.09 0.03 -0.01 -0.01 0.01 0.00 -0.00 0.01 0.00 0.00 -0.01 0.00 -0.01 -0.00 0.00 0.01 0.00 -0.04 0.01 0.03 0.01 -0.00 -0.04 -0.00 0.00 -0.00 -0.00 0.03 -0.03 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 -0.11 0.08 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.22 0.46 0.11 0.07 -0.09 0.07 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 0.01 0.00 -0.01 0.01 -0.05 0.01 0.03 -0.05 -0.00 0.06 -0.01 0.10 0.06 0.04 -0.16 0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.28 0.45 0.12 -0.16 0.41 -0.09 0.02 -0.03 0.00 -0.00 0.00 0.00 0.07 -0.22 0.18 0.07 -0.03 0.02 0.01 0.03 0.01 -0.01 -0.07 -0.03 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.03 0.05 -0.13 0.01 -0.04 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.03 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.09 0.30 -0.23 -0.13 0.07 -0.14 -0.11 -0.01 0.24 -0.04 -0.17 -0.05 0.01 0.05 0.02 -0.04 0.05 0.07 0.08 -0.03 -0.01 0.05 -0.02 0.02 -0.11 0.21 0.05 0.07 -0.04 -0.06 -0.01 0.05 -0.00 -0.01 -0.00 -0.05 -0.05 0.00 -0.00 -0.00 -0.00 0.00 -0.05 0.03 0.03 0.03 0.02 -0.04 -0.07 -0.02 0.06 0.09 -0.03 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.06 -0.06 -0.03 0.06 0.09 0.00 0.02 -0.16 -0.03 0.06 -0.04 -0.02 0.16 0.30 -0.19 -0.06 0.07 -0.26 -0.11 0.01 -0.04 -0.05 -0.06 0.16 0.09 -0.03 -0.01 0.05 -0.03 -0.02 0.13 -0.08 0.02 0.02 -0.09 -0.06 0.01 -0.07 -0.07 -0.05 0.05 0.14 0.06 -0.03 -0.01 -0.03 0.11 0.04 -0.14 0.01 0.02 0.11 0.09 -0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.05 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 0.01 -0.04 -0.00 0.03 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.03 -0.06 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.05 -0.01 0.01 0.03 0.02 -0.00 -0.03 -0.04 0.01 0.01 0.00 0.00 -0.02 -0.00 0.01 0.01 -0.01 -0.02 0.01 0.01 -0.04 0.02 -0.08 -0.00 -0.00 0.00 0.17 0.08 0.09 0.02 -0.10 -0.08 -0.02 0.06 -0.03 -0.05 -0.02 0.00 0.00 -0.00 -0.00 -0.07 0.09 -0.01 0.01 0.06 -0.04 -0.10 -0.05 0.06 0.10 0.04 0.04 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.09 0.01 0.08 0.11 0.19 0.09 0.06 -0.18 0.01 0.09 -0.26 -0.02 -0.03 -0.05 -0.05 -0.00 0.05 0.04 -0.04 0.00 -0.03 0.05 -0.04 -0.00 -0.01 -0.00 -0.01 -0.02 0.02 0.00 0.18 0.07 0.14 0.15 -0.04 0.06 0.01 0.25 0.17 -0.06 0.15 0.34 0.24 -0.12 -0.10 -0.09 -0.25 -0.21 -0.19 -0.02 -0.01 0.10 -0.23 -0.21 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 0.01 0.01 -0.00 0.02 -0.03 -0.00 0.01 -0.02 0.00 -0.01 -0.01 0.02 0.02 0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.03 -0.02 -0.03 -0.02 0.01 0.00 0.00 -0.00 -0.01 0.01 -0.02 0.01 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.02 0.02 -0.01 -0.05 -0.05 0.04 0.01 0.04 0.02 0.07 -0.02 0.01 0.03 0.00 0.05 0.09 -0.04 -0.13 -0.06 -0.04 0.19 0.00 0.02 0.02 -0.03 0.04 -0.00 0.00 -0.04 -0.03 0.01 0.00 0.01 -0.00 0.01 0.00 0.00 0.01 0.01 -0.02 -0.01 0.01 -0.02 0.02 -0.01 0.01 -0.02 -0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.01 -0.01 0.03 0.00 0.01 -0.00 0.00 0.01 -0.00 -0.02 0.04 0.08 0.05 0.03 -0.02 0.02 0.03 -0.11 0.00 -0.01 0.02 0.02 -0.07 -0.05 0.08 0.19 -0.02 -0.10 0.11 0.04 -0.22 0.13 -0.44 -0.23 -0.36 0.52 -0.12 0.02 -0.06 -0.06 0.04 -0.02 -0.02 -0.01 -0.09 -0.05 -0.00 0.06 0.11 0.09 -0.07 -0.05 0.02 0.08 0.05 -0.01 -0.02 -0.02 0.01 0.07 0.03 -0.01 0.02 0.01 -0.01 0.03 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.10 -0.21 -0.11 -0.11 0.27 0.13 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.05 0.01 0.01 -0.00 -0.02 -0.01 -0.00 0.00 -0.00 0.03 -0.02 0.04 0.01 -0.02 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.20 0.08 -0.28 -0.23 -0.16 0.25 0.00 -0.00 0.00 0.01 0.01 0.01 0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.00 0.01 -0.01 0.01 -0.01 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.02 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.34 0.29 -0.41 0.21 0.29 -0.24 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.02 -0.02 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.00 0.01 0.01 -0.02 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 0.01 0.02 0.01 -0.02 -0.00 -0.01 0.04 0.01 -0.02 -0.01 -0.00 0.00 -0.00 0.06 0.03 0.02 -0.00 0.01 -0.03 -0.01 -0.01 -0.03 -0.02 -0.01 -0.02 -0.00 -0.00 0.00 0.07 -0.01 0.07 -0.03 0.06 -0.04 -0.04 -0.03 0.04 0.02 0.00 0.02 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.02 0.01 0.01 -0.15 -0.34 -0.21 -0.12 -0.02 -0.11 -0.10 0.42 -0.02 -0.03 -0.00 -0.02 -0.01 0.02 0.03 -0.00 -0.00 -0.04 0.04 -0.03 -0.02 0.04 -0.09 -0.05 -0.06 0.12 -0.02 0.09 0.01 0.09 -0.01 -0.06 -0.00 0.03 0.12 0.05 -0.00 -0.20 -0.42 -0.33 0.31 0.19 -0.11 -0.06 -0.10 -0.05 0.00 0.04 0.01 -0.10 -0.03 0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.02 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.01 -0.03 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.12 -0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.01 0.00 -0.00 0.01 -0.01 -0.01 0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.01 -0.01 0.01 -0.02 -0.03 0.04 -0.03 -0.00 -0.00 0.00 0.03 -0.02 0.04 0.00 -0.06 -0.02 0.01 0.03 -0.01 0.01 0.07 0.07 0.00 0.00 -0.00 0.05 0.16 0.02 -0.03 -0.07 -0.07 0.00 0.04 0.03 -0.03 -0.02 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.02 0.02 -0.03 -0.15 -0.06 -0.03 -0.15 -0.05 -0.02 -0.03 -0.03 0.01 -0.01 0.00 0.00 -0.01 -0.01 -0.05 0.01 -0.02 0.01 -0.03 0.03 -0.03 0.06 0.03 0.03 -0.06 0.02 -0.03 0.01 -0.06 0.12 0.03 0.05 -0.05 -0.47 -0.28 0.02 0.09 -0.10 -0.02 0.15 0.05 -0.02 0.48 0.27 -0.02 -0.31 -0.20 -0.02 0.15 0.14 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.01 -0.01 0.00 0.01 -0.00 0.02 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.01 0.01 0.00 -0.03 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.02 0.02 0.00 0.03 -0.02 -0.01 -0.00 0.00 -0.01 0.05 0.03 -0.02 -0.15 0.00 0.09 0.19 0.01 -0.04 0.03 0.04 0.01 -0.01 0.01 0.01 -0.01 -0.03 -0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.03 -0.01 0.01 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.03 0.01 0.04 0.03 0.01 0.04 0.02 0.00 -0.02 0.01 -0.08 0.02 -0.00 0.04 -0.01 -0.03 -0.55 0.06 -0.38 0.34 -0.48 0.28 0.04 -0.00 -0.03 -0.02 0.13 0.01 -0.01 0.01 0.03 -0.04 -0.00 -0.01 -0.00 -0.03 -0.02 -0.00 -0.01 0.03 0.01 -0.05 -0.01 0.02 0.02 0.02 0.01 -0.00 -0.01 0.00 0.03 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.03 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.03 -0.16 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.02 0.02 -0.01 -0.02 -0.02 0.00 0.02 0.01 -0.01 0.00 0.01 -0.00 -0.02 0.00 0.01 0.02 0.00 -0.00 0.00 0.00 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.09 -0.06 -0.02 -0.01 0.07 0.08 0.02 -0.06 -0.05 0.02 -0.10 -0.01 -0.00 0.00 -0.00 0.05 0.24 0.02 0.00 0.05 0.08 0.05 -0.00 -0.07 -0.08 0.04 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.07 -0.01 -0.03 0.04 -0.06 -0.07 -0.00 -0.32 -0.08 0.04 -0.08 -0.06 0.03 0.02 0.03 -0.01 -0.02 -0.02 -0.06 0.01 -0.04 0.03 -0.05 0.04 0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.09 -0.08 -0.17 0.05 0.04 -0.00 0.00 0.33 0.29 0.06 0.24 -0.05 0.10 0.21 -0.00 0.01 -0.38 -0.20 0.11 0.23 0.12 -0.11 -0.22 -0.08 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 -0.02 0.03 -0.03 0.04 -0.03 0.00 0.01 -0.08 -0.07 -0.01 0.04 0.03 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.13 0.06 0.03 0.13 -0.03 -0.04 -0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 -0.01 0.01 0.04 -0.04 0.01 0.16 0.11 -0.06 -0.14 -0.05 0.01 -0.15 -0.00 -0.01 -0.04 0.05 -0.01 0.00 -0.03 -0.01 0.13 -0.05 0.13 0.04 -0.09 -0.09 0.04 -0.04 -0.02 -0.07 0.15 0.09 -0.03 -0.03 -0.01 0.01 0.00 0.02 0.02 -0.00 0.02 -0.01 0.00 0.00 0.01 0.04 -0.02 0.01 -0.05 0.03 0.05 0.04 -0.03 -0.04 0.01 -0.00 -0.01 0.01 -0.01 0.01 -0.00 0.01 0.03 0.02 0.01 0.02 0.02 0.04 0.01 0.01 0.02 0.00 -0.10 0.00 0.00 -0.04 -0.04 0.17 0.14 -0.16 0.09 -0.02 0.04 -0.02 0.05 -0.06 0.23 -0.37 -0.17 -0.02 0.37 -0.09 -0.17 0.24 0.19 -0.19 0.14 0.10 -0.01 -0.06 -0.01 0.01 0.06 0.03 0.04 -0.03 -0.02 0.07 0.11 0.11 0.06 -0.11 -0.10 -0.04 -0.03 -0.01 0.02 -0.01 -0.00 -0.01 0.03 0.01 0.01 0.01 0.01 0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 0.00 -0.00 -0.02 -0.01 -0.04 -0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.03 0.02 -0.03 -0.02 -0.00 -0.04 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.10 0.00 -0.07 0.03 -0.02 0.09 0.01 -0.00 0.00 0.05 -0.01 -0.01 0.01 -0.01 0.01 0.00 0.00 0.00 -0.03 0.01 -0.03 0.05 -0.09 0.10 -0.01 0.01 0.01 0.03 0.16 -0.13 -0.00 -0.01 -0.01 0.01 -0.01 0.02 0.01 -0.07 0.09 0.00 -0.00 -0.00 0.02 0.05 -0.02 0.02 -0.05 0.03 0.01 0.03 -0.01 -0.06 0.03 -0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.07 0.02 -0.02 0.01 -0.00 0.02 0.01 0.00 0.02 -0.01 -0.08 -0.00 -0.28 0.02 -0.12 0.03 -0.06 0.16 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.05 0.08 0.03 -0.01 -0.08 0.02 0.20 0.11 0.52 -0.48 -0.24 -0.20 -0.05 -0.05 0.13 0.03 0.06 -0.01 0.01 0.01 -0.01 0.10 0.07 0.08 -0.05 -0.04 -0.11 -0.05 -0.01 -0.09 -0.01 0.00 0.00 0.01 -0.01 -0.01 -0.01 -0.01 -0.02 -0.00 0.00 -0.00 -0.01 0.03 -0.01 -0.01 0.00 0.00 0.05 0.03 -0.02 0.02 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.03 -0.04 0.07 -0.10 0.01 0.05 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.20 -0.05 0.13 -0.08 0.09 -0.13 -0.01 -0.04 -0.05 -0.06 0.01 0.01 -0.01 0.02 -0.01 -0.02 -0.02 -0.01 0.04 -0.01 0.03 -0.02 0.01 0.13 0.02 -0.02 -0.01 0.07 0.02 -0.15 0.02 0.00 -0.01 0.00 -0.01 0.01 -0.00 -0.04 0.06 -0.00 0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.03 -0.00 0.01 -0.02 0.01 -0.02 -0.01 0.00 -0.01 0.01 0.00 0.01 -0.11 0.02 0.04 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.55 -0.08 0.18 -0.06 0.16 -0.31 0.03 -0.00 0.04 -0.04 0.05 -0.04 0.04 -0.09 -0.04 0.01 0.09 -0.02 0.27 -0.08 0.24 -0.21 -0.26 -0.20 -0.03 -0.05 0.06 0.01 0.01 -0.02 -0.01 0.02 0.00 0.03 -0.00 -0.01 -0.08 0.02 -0.02 -0.01 0.03 -0.05 0.02 -0.01 -0.00 -0.01 0.02 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.04 0.02 -0.04 -0.04 -0.01 -0.03 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.10 0.01 0.07 0.04 -0.00 -0.00 0.00 0.06 -0.06 0.09 0.01 -0.05 0.01 -0.01 0.00 -0.01 0.00 -0.01 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.07 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.18 -0.06 -0.16 0.21 0.02 0.16 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.03 0.00 -0.01 0.00 -0.01 0.02 -0.01 0.00 0.00 0.00 -0.01 0.01 -0.01 0.02 0.01 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.01 0.00 0.00 0.01 0.00 0.56 -0.26 -0.14 -0.32 0.35 0.45 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.01 -0.02 -0.01 -0.01 0.01 0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 -0.00 -0.00 0.03 0.02 -0.00 0.01 0.01 -0.01 -0.08 -0.06 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.09 -0.05 0.01 0.05 0.03 0.01 0.07 0.04 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.03 0.01 -0.01 -0.01 -0.01 0.02 0.00 0.06 0.02 -0.02 -0.03 0.01 0.05 0.01 0.03 -0.04 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.01 0.01 -0.00 -0.01 0.00 0.01 -0.04 -0.05 0.03 0.00 0.00 0.03 0.45 0.28 -0.00 -0.02 -0.00 -0.02 -0.04 0.01 0.02 0.49 0.31 -0.01 -0.27 -0.17 -0.02 -0.39 -0.25 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.01 0.00 -0.00 0.01 -0.01 0.01 -0.04 -0.03 -0.02 -0.03 -0.12 -0.10 -0.02 0.03 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.08 0.02 0.16 0.12 0.02 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.09 0.07 0.02 -0.16 -0.08 -0.07 -0.00 0.10 0.06 0.06 -0.02 0.13 0.06 -0.03 0.08 0.00 0.01 -0.11 -0.08 0.02 -0.06 0.04 -0.10 -0.09 -0.00 0.02 -0.04 -0.00 0.11 0.06 -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 0.01 0.02 0.01 -0.00 0.00 0.00 0.01 -0.00 0.01 0.00 0.02 0.01 0.01 -0.00 -0.01 -0.01 -0.01 -0.00 -0.01 -0.00 0.01 0.00 0.00 0.18 0.12 0.01 -0.01 -0.02 0.01 -0.00 0.02 0.00 -0.01 -0.01 0.00 0.45 0.05 0.20 -0.42 0.09 0.15 0.04 0.01 -0.08 -0.06 0.04 -0.07 -0.05 0.23 0.08 -0.11 -0.24 0.04 -0.04 0.16 0.16 -0.14 0.08 0.06 -0.01 -0.08 -0.03 -0.01 -0.00 0.01 0.00 0.01 -0.00 0.01 -0.09 -0.04 -0.00 -0.04 -0.04 0.00 0.11 0.06 0.02 -0.00 -0.01 -0.01 0.00 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.05 0.03 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.02 -0.01 -0.09 -0.06 0.01 0.08 0.05 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.01 0.00 -0.01 -0.01 0.00 0.00 0.01 0.01 -0.01 0.01 0.00 -0.02 -0.32 -0.20 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.23 0.15 0.04 0.56 0.35 -0.04 -0.47 -0.31 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.02 0.02 0.00 -0.00 0.02 0.01 -0.01 0.02 -0.08 -0.05 -0.07 0.07 0.06 0.01 0.10 0.04 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.05 -0.04 0.09 -0.09 -0.09 -0.03 0.00 0.00 0.01 -0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.01 -0.01 0.05 0.01 -0.20 0.14 0.08 0.05 -0.11 -0.03 -0.02 -0.07 -0.03 0.32 0.03 -0.01 0.19 -0.00 -0.01 -0.23 -0.02 0.01 -0.08 -0.02 0.05 0.04 0.03 0.01 -0.11 -0.01 -0.06 -0.03 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.13 -0.07 -0.02 0.00 0.01 -0.00 0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.10 0.02 -0.20 0.33 -0.08 -0.06 0.14 0.03 -0.11 -0.04 0.11 -0.29 0.08 0.30 0.09 -0.15 -0.38 0.05 -0.00 -0.07 -0.08 0.07 -0.03 -0.03 0.00 0.06 0.03 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.01 -0.04 -0.01 0.00 0.01 0.02 0.01 -0.00 -0.01 -0.01 -0.00 0.01 -0.00 0.00 0.00 0.00 0.01 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 -0.03 0.02 0.02 0.01 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 -0.11 -0.03 -0.23 0.11 0.35 0.38 0.00 0.00 -0.00 -0.04 -0.24 -0.16 0.07 -0.26 0.03 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 0.19 -0.07 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.07 0.05 0.06 -0.11 -0.01 -0.09 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 -0.00 0.01 0.01 -0.00 -0.01 -0.00 0.01 -0.01 0.04 0.06 0.01 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.34 -0.22 0.24 0.20 0.10 -0.37 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.06 -0.02 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.00 0.01 0.00 -0.02 -0.00 -0.00 0.02 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.01 0.00 -0.03 -0.00 0.01 -0.06 0.02 -0.04 -0.04 0.00 0.00 0.00 -0.00 -0.00 -0.06 0.04 -0.03 0.01 -0.08 0.12 0.04 0.07 -0.11 0.11 -0.03 0.03 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.00 0.00 -0.16 -0.41 -0.09 -0.12 0.22 -0.04 -0.13 0.24 0.03 -0.01 -0.01 0.02 0.00 0.02 -0.02 0.00 0.00 0.01 -0.01 0.00 0.00 -0.01 0.01 0.00 -0.01 -0.01 0.00 0.02 -0.00 -0.00 0.07 -0.03 -0.01 -0.26 -0.02 0.06 -0.22 -0.26 0.27 0.24 0.17 -0.15 -0.19 -0.12 0.18 -0.12 0.17 -0.25 0.12 -0.02 0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.07 -0.01 0.02 -0.02 -0.00 -0.00 -0.01 -0.02 -0.01 0.05 0.03 -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 -0.05 0.07 0.00 0.08 0.03 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.04 0.12 -0.17 -0.04 -0.13 0.03 0.37 -0.01 -0.04 -0.28 0.02 0.08 -0.18 0.04 -0.02 0.01 0.02 0.01 0.16 -0.04 0.03 -0.04 0.01 0.02 0.04 -0.03 -0.03 0.02 0.00 -0.01 0.01 -0.01 -0.01 -0.01 0.01 -0.01 0.01 -0.01 0.02 -0.00 0.00 0.00 -0.02 0.01 -0.01 0.01 -0.01 0.02 -0.01 0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.04 0.06 0.04 -0.04 -0.11 -0.03 -0.03 0.06 -0.01 -0.04 0.07 0.01 0.29 0.08 -0.31 -0.10 -0.23 0.36 -0.01 -0.01 -0.08 0.14 -0.07 -0.05 0.12 -0.19 -0.06 0.22 0.13 -0.02 0.09 -0.05 -0.00 -0.00 -0.02 -0.01 -0.01 -0.02 0.01 -0.07 -0.08 0.08 0.07 0.05 -0.04 -0.01 -0.02 0.02 -0.06 0.03 -0.04 0.02 0.03 -0.05 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.08 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.02 -0.02 -0.00 0.00 0.00 -0.00 -0.02 0.03 -0.01 0.02 -0.04 0.03 0.09 -0.05 0.09 -0.08 0.10 0.00 -0.00 -0.00 -0.05 -0.05 -0.06 0.06 -0.03 0.02 -0.04 -0.02 0.04 -0.10 0.05 -0.06 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.02 -0.01 -0.01 0.00 -0.02 -0.20 -0.10 -0.33 -0.19 0.09 0.46 -0.05 -0.02 -0.00 0.01 0.01 0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.01 0.00 -0.01 -0.01 0.00 0.02 -0.05 -0.07 0.02 0.08 0.06 0.32 -0.04 0.05 -0.11 -0.15 0.17 0.25 0.19 -0.19 0.20 0.04 0.01 -0.08 -0.02 0.02 -0.04 0.20 -0.30 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.07 -0.01 -0.07 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.00 0.00 0.00 -0.02 -0.01 0.01 0.02 0.01 -0.00 -0.04 -0.06 -0.00 0.06 -0.01 0.01 0.00 -0.00 -0.00 -0.06 0.07 0.05 0.04 0.02 -0.02 -0.05 -0.04 0.07 -0.04 0.03 -0.04 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.16 -0.37 0.12 -0.02 0.55 0.15 -0.23 -0.21 0.08 -0.02 -0.00 0.01 0.02 -0.00 -0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.01 -0.01 0.00 -0.00 -0.03 -0.04 -0.03 0.05 0.02 0.29 0.00 -0.06 -0.18 -0.15 0.17 -0.02 -0.07 0.06 0.25 0.01 -0.11 0.01 -0.07 0.12 0.01 0.14 -0.24 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.02 -0.00 0.03 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.02 0.03 -0.01 -0.01 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.07 -0.04 -0.20 -0.10 0.03 -0.21 0.00 0.00 -0.00 0.13 -0.09 0.24 0.10 0.10 0.24 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.08 -0.03 -0.16 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 0.05 0.04 -0.08 -0.01 -0.06 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 0.01 -0.01 0.00 0.01 -0.00 0.02 0.01 0.02 0.04 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.32 -0.41 0.32 0.15 0.46 -0.29 0.00 0.00 0.00 -0.00 0.00 -0.02 -0.01 0.02 -0.03 0.00 0.01 0.01 0.00 0.01 0.00 0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.13 0.21 -0.00 -0.04 -0.02 -0.01 0.01 -0.03 0.03 -0.04 0.06 0.00 -0.00 -0.00 0.03 0.02 0.07 -0.05 0.01 -0.10 0.10 0.03 -0.17 -0.03 0.05 -0.01 -0.06 0.05 0.01 -0.00 0.02 -0.01 0.14 -0.00 -0.16 -0.03 -0.02 0.08 -0.08 0.02 0.04 0.02 -0.01 -0.01 0.01 -0.03 0.00 -0.01 -0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.02 -0.00 -0.01 -0.01 -0.03 -0.02 -0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.26 0.08 -0.02 -0.01 -0.18 0.39 -0.07 0.01 0.17 -0.13 0.04 0.14 -0.49 -0.27 0.03 0.19 0.28 -0.00 -0.04 0.03 0.01 0.01 0.01 0.01 0.02 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 0.00 -0.01 0.02 -0.01 0.02 -0.00 0.00 -0.01 -0.05 -0.10 0.07 0.04 0.10 -0.06 0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.01 0.00 -0.01 0.00 -0.06 0.10 -0.00 -0.02 -0.01 0.05 -0.04 0.12 -0.10 0.14 -0.16 0.00 -0.00 -0.00 -0.12 -0.05 -0.27 0.17 -0.06 0.33 0.05 0.02 -0.08 -0.02 0.03 -0.00 -0.03 0.02 0.01 -0.00 0.01 -0.01 0.07 0.00 -0.08 -0.02 -0.01 0.04 -0.04 -0.00 0.02 0.01 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.03 0.01 -0.04 0.06 0.00 0.05 -0.00 -0.02 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.12 0.04 -0.01 -0.01 -0.09 0.19 -0.03 0.00 0.07 -0.06 0.02 0.06 -0.16 -0.08 0.02 0.09 0.15 -0.01 -0.02 0.01 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.19 0.41 -0.27 -0.14 -0.38 0.24 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.03 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.02 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 0.01 0.01 0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.05 -0.04 0.02 0.00 0.00 -0.00 -0.04 0.03 -0.03 0.05 -0.05 0.10 -0.02 -0.02 0.06 -0.02 0.05 -0.08 0.00 0.00 0.00 -0.04 0.02 -0.08 0.03 0.05 -0.09 -0.01 -0.03 0.04 -0.00 -0.02 0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.12 0.03 0.05 -0.04 -0.14 -0.11 -0.08 -0.07 -0.09 -0.00 0.26 -0.01 0.05 -0.01 -0.02 -0.04 0.03 0.01 0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.01 0.01 -0.00 -0.01 -0.01 -0.00 -0.31 0.25 0.13 0.11 -0.15 -0.10 -0.14 0.05 -0.04 -0.08 -0.03 0.17 0.31 0.16 -0.22 0.29 0.11 -0.15 0.26 -0.17 0.25 -0.06 -0.13 0.20 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.01 0.01 -0.01 0.01 0.01 0.01 0.01 0.01 0.00 -0.02 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.02 0.04 -0.01 -0.06 -0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.07 -0.03 0.00 -0.08 0.09 -0.04 0.00 0.02 0.02 0.04 0.01 -0.06 -0.11 0.04 0.06 -0.01 -0.00 0.00 0.06 -0.01 -0.02 0.05 -0.02 -0.03 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.02 0.01 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.07 -0.04 0.01 0.00 0.02 0.02 0.01 0.01 0.01 -0.00 -0.03 0.00 -0.33 -0.01 -0.03 -0.13 -0.13 0.50 -0.09 0.02 0.09 0.41 -0.08 -0.39 0.31 0.13 -0.04 -0.15 -0.18 -0.00 -0.09 0.07 0.02 0.02 0.02 0.02 0.06 0.01 -0.01 0.01 0.00 -0.02 -0.04 -0.02 0.03 -0.02 -0.01 0.02 -0.00 0.01 -0.01 0.00 0.02 -0.04 -0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.02 0.03 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 0.01 -0.03 -0.05 -0.10 -0.05 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.04 0.01 0.01 -0.08 0.10 0.12 0.08 -0.04 -0.04 -0.00 -0.00 0.02 0.04 -0.01 -0.01 0.00 -0.00 -0.00 -0.02 0.01 0.00 0.13 -0.06 -0.06 -0.00 0.00 -0.00 -0.00 -0.01 0.03 -0.05 0.03 0.00 0.00 0.01 -0.04 0.03 -0.01 0.01 -0.00 0.00 -0.00 0.01 -0.01 0.03 0.00 -0.02 0.03 0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.27 -0.02 0.06 0.01 0.05 0.04 0.03 0.01 0.03 0.00 -0.08 0.00 0.50 -0.05 -0.17 -0.23 0.34 -0.00 0.04 -0.01 -0.03 -0.13 0.03 0.12 -0.10 -0.04 0.01 0.03 0.04 0.00 -0.31 0.24 0.07 0.18 -0.03 0.01 0.21 0.03 -0.03 0.02 0.01 -0.05 -0.10 -0.05 0.07 -0.12 -0.03 0.06 -0.03 0.03 -0.04 0.03 0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 -0.00 0.00 0.01 0.00 0.00 -0.03 -0.00 0.00 -0.01 0.01 -0.01 -0.04 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.00 0.01 0.05 -0.02 0.02 0.01 0.02 -0.04 -0.00 0.00 0.00 0.00 -0.00 0.00 0.02 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.03 -0.02 -0.00 0.03 -0.03 -0.01 -0.34 -0.04 0.09 -0.00 -0.01 -0.00 -0.01 0.00 0.01 -0.26 -0.04 0.07 0.50 -0.27 0.36 0.14 0.30 -0.48 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.02 -0.02 0.01 0.01 0.00 -0.01 0.00 0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 0.02 -0.01 -0.02 0.01 -0.00 -0.04 -0.01 0.01 0.01 0.00 0.01 -0.03 -0.04 -0.05 0.00 -0.00 0.02 0.01 -0.00 -0.01 0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.01 -0.01 -0.00 0.00 0.02 0.00 -0.01 -0.00 -0.01 -0.02 0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.09 0.04 0.06 0.01 0.01 0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.08 0.01 0.14 0.01 -0.10 0.16 0.52 -0.14 -0.51 -0.31 0.02 0.34 0.26 0.15 -0.02 -0.02 0.01 -0.01 -0.09 0.07 0.03 0.06 -0.05 -0.02 0.08 0.01 -0.02 0.02 0.02 -0.02 -0.00 0.00 0.00 -0.09 -0.01 0.03 -0.05 0.02 -0.03 0.03 0.05 -0.08 0.01 0.05 -0.02 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.03 -0.05 -0.04 0.01 -0.02 0.01 0.00 0.02 0.01 0.01 0.01 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.03 0.07 0.04 0.02 -0.01 -0.01 0.01 0.00 -0.01 -0.01 -0.02 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.03 0.02 -0.01 -0.00 0.00 0.00 0.03 -0.00 0.01 -0.08 0.02 -0.05 0.05 0.02 -0.04 -0.07 -0.01 0.03 -0.01 -0.02 -0.03 -0.03 -0.00 0.02 0.06 0.01 -0.02 0.05 -0.00 -0.00 -0.04 -0.01 0.02 -0.00 0.01 0.00 0.00 -0.00 0.00 0.13 -0.10 -0.10 -0.02 -0.04 0.00 -0.01 0.05 0.01 -0.03 -0.00 0.01 0.12 -0.02 -0.05 -0.08 0.08 0.12 0.18 -0.05 -0.17 -0.11 0.01 0.12 0.10 0.06 -0.00 -0.02 0.00 -0.00 0.32 -0.23 -0.09 -0.16 0.14 0.07 -0.29 -0.04 0.08 -0.08 -0.09 0.08 -0.03 -0.04 0.02 0.39 0.04 -0.11 0.22 -0.10 0.13 -0.14 -0.21 0.35 0.01 0.07 -0.03 -0.01 -0.02 0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.03 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.03 0.00 -0.01 0.01 0.02 -0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.06 0.20 -0.06 -0.01 -0.17 -0.08 0.00 0.00 -0.00 -0.04 -0.04 -0.11 0.05 -0.03 0.10 0.00 -0.00 -0.01 -0.00 0.01 0.01 0.00 -0.00 0.00 0.01 0.00 -0.01 -0.01 -0.02 -0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.02 0.01 -0.01 0.01 0.01 -0.01 -0.01 -0.00 0.01 0.09 0.21 0.27 -0.01 -0.00 0.01 0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.03 -0.11 -0.03 -0.02 0.02 -0.04 0.01 -0.02 -0.01 -0.00 -0.01 0.00 -0.00 0.01 0.00 -0.01 -0.00 0.00 0.02 0.00 0.06 -0.01 0.01 0.04 0.19 -0.05 -0.18 -0.10 0.01 0.12 0.03 0.02 -0.01 -0.03 -0.04 -0.00 0.06 -0.04 -0.02 -0.02 0.02 0.01 -0.06 -0.01 0.02 -0.02 -0.02 0.02 -0.01 -0.01 0.01 0.08 0.01 -0.02 0.05 -0.02 0.03 -0.03 -0.05 0.08 -0.08 -0.69 0.28 0.07 0.18 -0.07 0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.02 0.02 -0.01 -0.01 -0.01 0.01 0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.04 -0.08 0.00 -0.04 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.04 0.07 -0.02 0.07 -0.06 0.04 0.00 0.02 -0.02 -0.01 0.04 0.04 -0.01 0.00 0.01 -0.01 -0.03 -0.02 0.01 -0.00 -0.01 0.02 -0.04 -0.00 0.00 0.00 -0.03 -0.02 -0.01 0.12 -0.00 0.00 -0.03 -0.03 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.03 -0.05 0.01 -0.01 -0.03 -0.01 0.02 0.04 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.04 0.00 -0.00 -0.02 -0.03 -0.02 -0.02 -0.02 0.01 0.06 -0.01 0.01 -0.08 -0.28 -0.06 -0.16 0.49 -0.01 0.01 0.02 -0.19 0.06 0.13 -0.16 -0.06 0.02 0.07 0.05 0.00 0.09 -0.12 -0.08 -0.48 0.34 0.13 -0.15 -0.02 0.05 0.04 0.07 -0.02 0.09 0.05 -0.07 -0.09 0.00 0.00 -0.11 0.03 -0.04 0.06 0.06 -0.10 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.02 -0.01 0.01 0.01 0.01 0.00 0.00 0.01 -0.02 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.04 0.09 0.03 -0.03 -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.05 -0.08 -0.02 0.01 0.13 -0.02 -0.02 -0.03 0.04 0.02 -0.06 -0.04 0.01 -0.00 -0.01 0.01 0.03 0.01 -0.01 0.00 -0.01 0.01 -0.04 0.00 -0.00 -0.00 -0.04 -0.01 -0.01 0.11 -0.01 0.01 -0.03 -0.03 0.07 0.01 0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.03 -0.05 0.01 -0.01 -0.03 -0.01 0.02 0.04 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.13 -0.08 -0.11 0.00 -0.02 -0.04 -0.01 -0.03 -0.02 0.01 0.06 -0.01 0.17 0.06 0.19 -0.04 0.31 -0.42 0.08 -0.03 -0.08 0.16 -0.05 -0.10 0.23 0.11 -0.03 -0.12 -0.07 -0.01 0.09 -0.11 -0.07 -0.43 0.30 0.12 -0.09 -0.01 0.03 0.05 0.08 -0.02 0.10 0.06 -0.07 -0.10 0.00 0.01 -0.12 0.04 -0.05 0.07 0.07 -0.11 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.03 0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 -0.07 0.04 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.02 0.02 -0.08 -0.03 -0.02 0.01 0.00 0.00 -0.00 0.01 -0.02 0.00 0.01 -0.00 0.00 0.00 0.01 0.00 -0.01 0.09 -0.03 -0.08 0.00 0.00 -0.00 -0.01 -0.03 -0.01 0.10 0.03 -0.02 0.12 0.04 -0.09 -0.02 -0.04 0.05 -0.00 -0.00 -0.00 -0.05 -0.01 0.05 0.01 0.02 -0.03 -0.00 -0.01 0.01 -0.04 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.39 0.18 0.23 -0.02 -0.04 0.03 0.00 0.05 0.01 -0.03 -0.03 0.02 -0.11 0.03 0.17 0.00 0.00 -0.15 0.01 -0.00 -0.02 0.06 -0.02 -0.05 -0.10 -0.07 0.00 0.10 0.02 0.01 -0.21 0.13 0.02 -0.29 0.29 0.11 -0.41 -0.07 0.18 -0.10 -0.10 0.11 -0.10 -0.12 0.08 -0.14 0.00 0.01 -0.01 -0.00 0.01 -0.09 -0.10 0.16 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.04 0.02 -0.03 0.01 -0.02 -0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.03 -0.02 0.01 -0.03 0.01 0.03 -0.01 -0.00 -0.00 0.03 -0.01 0.05 -0.09 -0.01 0.06 -0.03 0.02 0.00 0.05 0.01 -0.03 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.01 0.00 0.00 -0.02 -0.00 -0.00 -0.03 -0.01 0.02 -0.00 0.01 -0.01 -0.01 0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.04 -0.03 -0.03 0.01 0.01 -0.01 -0.00 -0.01 -0.00 0.01 0.01 -0.00 -0.20 0.03 0.23 -0.11 0.14 -0.06 0.24 -0.06 -0.24 0.15 -0.05 -0.13 -0.52 -0.31 0.03 0.53 0.15 0.03 0.05 -0.03 -0.01 -0.01 0.01 0.01 0.06 0.01 -0.03 0.02 0.02 -0.03 0.02 0.03 -0.02 0.06 0.00 -0.01 0.01 -0.00 0.00 0.02 0.01 -0.03 0.00 0.02 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.03 0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.07 0.03 0.04 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.03 -0.07 -0.04 -0.01 0.01 0.00 -0.02 0.00 -0.00 0.01 0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.09 -0.02 -0.08 0.00 -0.00 -0.00 0.09 -0.04 0.02 -0.14 0.04 -0.04 -0.14 -0.04 0.09 -0.04 0.01 -0.02 0.00 -0.00 0.00 0.06 0.01 -0.04 0.01 -0.03 0.05 0.05 -0.00 -0.00 0.04 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.41 0.19 0.24 0.03 0.06 -0.01 0.01 -0.03 0.00 0.03 -0.00 -0.02 -0.03 0.02 0.11 -0.01 -0.02 -0.06 -0.08 0.02 0.07 -0.02 0.01 0.02 0.07 0.04 -0.01 -0.09 -0.03 -0.00 0.15 -0.08 0.00 -0.25 0.29 0.14 0.15 0.05 -0.07 0.11 0.09 -0.14 0.08 0.15 -0.06 0.50 0.02 -0.08 0.11 -0.03 0.04 0.06 0.03 -0.06 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.01 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.06 0.00 0.02 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.11 -0.00 -0.04 0.07 0.03 -0.05 -0.01 0.01 0.01 0.08 0.00 -0.02 0.01 -0.01 0.01 -0.03 0.01 0.04 0.03 0.03 -0.01 -0.01 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.06 0.03 0.05 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.62 -0.03 0.32 0.19 -0.27 0.28 0.13 -0.03 -0.09 0.26 -0.10 -0.19 -0.25 -0.19 -0.03 -0.14 -0.16 0.03 0.02 -0.02 -0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.01 0.01 -0.04 0.01 0.00 -0.00 0.00 0.00 0.01 0.01 0.00 -0.01 0.00 -0.04 0.00 -0.01 0.02 0.01 -0.02 -0.02 0.01 0.01 0.01 -0.01 0.01 0.01 0.03 0.02 -0.01 -0.00 0.00 -0.08 -0.06 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.03 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.03 0.01 0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.23 -0.01 0.08 0.05 -0.07 0.09 -0.04 0.02 0.05 0.13 -0.02 -0.13 0.33 0.39 0.12 0.58 0.49 -0.06 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.03 0.08 -0.04 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.10 -0.10 0.03 -0.07 0.03 -0.00 0.00 -0.00 0.03 -0.19 0.01 -0.02 0.15 0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.05 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.07 0.07 0.02 -0.01 0.03 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.00 -0.01 -0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.01 -0.00 0.02 -0.07 -0.07 -0.01 -0.10 -0.07 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.13 0.70 -0.34 -0.02 -0.49 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 0.01 0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.04 0.04 -0.03 0.00 -0.03 -0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.06 0.02 0.02 0.00 0.02 0.01 0.00 -0.05 -0.00 0.00 -0.01 0.01 0.00 0.05 -0.01 -0.04 0.01 -0.00 0.01 -0.02 0.01 0.01 0.01 -0.00 -0.01 -0.01 0.01 -0.00 0.01 -0.01 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.04 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.02 0.06 0.79 -0.22 0.16 0.21 -0.27 0.07 0.22 -0.22 0.07 0.18 0.04 0.01 -0.01 -0.05 -0.02 -0.00 0.04 -0.04 -0.02 0.03 -0.04 -0.02 0.01 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 -0.04 -0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.03 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.03 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.03 -0.01 0.01 -0.04 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.07 -0.12 0.08 -0.02 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 0.01 -0.02 -0.02 -0.01 -0.03 -0.03 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.33 0.34 -0.21 0.20 0.61 -0.54 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.02 -0.04 -0.02 -0.06 0.00 0.00 -0.00 0.08 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.07 -0.07 0.00 -0.01 -0.01 0.01 -0.00 0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.02 -0.01 0.04 -0.02 0.01 -0.01 -0.01 0.01 0.07 -0.01 -0.02 -0.08 -0.01 0.07 0.16 -0.01 -0.10 -0.11 0.01 0.10 -0.05 -0.00 0.02 -0.01 0.00 0.00 -0.04 -0.02 0.09 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.03 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.27 0.04 0.34 -0.17 0.16 0.02 0.34 -0.07 -0.20 0.45 -0.15 -0.36 0.16 0.16 0.03 -0.27 0.02 -0.04 0.02 -0.01 -0.01 0.01 -0.01 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 0.01 0.05 -0.03 0.00 -0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.03 0.00 0.02 -0.02 -0.02 0.01 -0.01 0.01 -0.00 0.00 0.00 0.09 -0.09 0.11 -0.02 0.15 -0.00 -0.00 0.00 -0.00 -0.00 -0.30 -0.11 -0.08 0.30 -0.06 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 -0.02 0.01 0.01 0.01 -0.00 -0.01 -0.02 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.10 -0.14 0.19 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.04 0.03 -0.04 -0.04 -0.02 0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.04 -0.01 -0.05 0.03 -0.02 -0.00 -0.06 0.01 0.03 -0.04 0.02 0.02 0.06 0.07 0.03 0.26 0.19 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.05 -0.31 0.13 0.06 0.63 -0.19 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.05 -0.01 0.04 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.01 0.00 0.00 -0.00 0.03 -0.00 -0.01 -0.07 0.00 0.00 0.13 -0.06 0.07 -0.08 0.01 0.00 0.00 -0.00 0.00 -0.07 0.02 -0.05 -0.04 0.01 -0.01 0.04 -0.00 0.00 0.00 0.04 -0.07 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.05 0.02 0.03 -0.05 -0.21 -0.10 -0.08 0.02 -0.07 -0.05 0.20 0.04 0.01 -0.00 -0.04 -0.02 0.02 -0.00 0.01 -0.00 -0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.13 -0.08 0.02 -0.09 0.09 0.03 0.51 0.07 -0.17 0.05 0.30 0.14 -0.03 -0.32 -0.04 -0.43 -0.04 0.10 0.12 -0.05 0.06 -0.07 -0.11 0.18 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.02 -0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.04 0.04 -0.02 -0.00 0.03 0.03 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.03 -0.05 -0.03 -0.11 0.07 0.05 0.06 -0.03 -0.02 0.01 -0.00 0.00 0.01 -0.00 0.01 0.01 -0.00 -0.02 -0.01 -0.00 -0.00 0.02 -0.01 -0.02 -0.00 0.00 0.01 0.06 -0.04 -0.02 -0.03 0.01 0.01 0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.30 -0.10 -0.14 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.09 -0.01 0.29 0.52 -0.48 -0.21 -0.04 0.01 0.04 -0.08 0.03 0.05 -0.00 0.03 0.02 0.01 0.03 -0.01 -0.23 0.20 0.13 -0.14 0.18 0.07 0.07 0.02 -0.01 0.00 0.01 0.00 -0.01 0.00 0.00 -0.01 -0.00 0.01 0.04 -0.01 0.02 -0.01 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.03 0.01 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.02 -0.01 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.00 0.04 -0.01 -0.04 -0.06 -0.10 0.16 -0.02 0.04 -0.05 0.08 0.02 -0.04 -0.00 0.00 0.00 0.02 -0.01 0.02 0.12 0.02 -0.05 -0.09 0.06 -0.08 -0.03 -0.04 0.07 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.05 0.02 0.02 0.01 0.10 0.05 0.06 -0.04 0.04 0.03 -0.14 -0.02 0.02 0.00 -0.04 -0.07 0.06 0.03 0.01 -0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.18 -0.10 0.08 -0.37 0.28 0.09 0.32 0.05 -0.10 -0.10 -0.27 0.02 0.04 0.25 -0.00 -0.46 -0.04 0.11 0.23 -0.12 0.15 -0.03 -0.03 0.05 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.02 -0.02 -0.13 -0.08 -0.19 -0.00 -0.01 -0.01 0.23 0.10 -0.07 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.19 -0.07 0.04 0.01 -0.01 -0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.02 -0.01 0.02 0.00 0.01 0.01 0.00 -0.01 0.00 -0.09 0.02 0.01 0.02 0.02 -0.00 -0.12 0.03 0.02 -0.00 0.02 -0.08 -0.14 0.01 0.01 0.06 -0.01 -0.01 0.06 -0.00 -0.01 -0.04 0.02 0.02 -0.16 -0.04 0.39 0.07 -0.05 -0.02 -0.02 0.01 0.01 -0.03 0.01 -0.02 0.02 -0.00 -0.00 0.00 -0.01 0.00 -0.01 0.01 -0.01 0.02 -0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.01 0.02 0.00 -0.00 0.00 0.01 0.00 -0.01 0.09 -0.04 -0.06 -0.00 -0.05 -0.03 -0.03 0.00 -0.02 -0.01 0.08 0.01 0.32 -0.03 -0.11 0.00 -0.01 0.07 -0.19 0.02 0.07 -0.20 0.08 0.18 -0.01 -0.01 0.02 -0.06 -0.05 -0.02 -0.28 0.23 0.14 -0.12 0.15 0.06 -0.06 0.00 0.03 0.07 0.17 -0.02 -0.10 -0.22 0.04 0.08 0.01 -0.02 -0.01 0.01 -0.01 0.01 0.03 -0.04 0.01 0.02 -0.01 -0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.01 -0.03 0.00 0.01 0.01 0.03 0.01 -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.01 -0.01 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.04 0.01 -0.05 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.01 0.01 0.01 -0.00 -0.00 0.02 0.00 -0.02 -0.02 -0.00 0.01 0.01 -0.00 -0.01 0.01 -0.00 -0.00 0.03 -0.03 -0.02 -0.02 -0.01 0.06 -0.05 0.04 0.02 0.03 0.01 -0.03 0.08 -0.03 0.05 -0.07 -0.00 0.02 0.00 -0.00 -0.00 0.01 -0.02 0.04 -0.05 -0.00 0.01 0.03 -0.02 0.03 0.02 0.04 -0.06 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.04 0.02 0.02 0.02 0.15 0.10 0.08 0.01 0.07 0.02 -0.22 -0.04 -0.00 -0.00 0.02 0.09 -0.08 -0.04 -0.04 0.01 0.02 -0.05 0.02 0.04 -0.01 0.01 0.01 0.01 0.01 -0.01 0.16 -0.14 -0.08 0.11 -0.10 -0.04 0.19 0.01 -0.07 -0.18 -0.43 0.04 0.28 0.61 -0.11 -0.12 -0.01 0.03 0.02 -0.01 0.01 -0.04 -0.07 0.12 0.01 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 0.42 -0.04 0.24 -0.22 -0.29 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.02 -0.02 0.01 -0.04 0.00 -0.01 0.00 -0.01 -0.02 0.06 -0.01 0.02 -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.01 -0.00 0.01 -0.01 -0.00 0.00 0.01 0.06 0.03 0.00 -0.00 0.01 -0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 0.01 -0.01 0.07 0.00 -0.06 -0.38 -0.30 0.47 0.01 -0.00 -0.01 0.00 0.02 0.02 0.01 0.00 0.01 0.00 -0.03 -0.01 0.02 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.01 -0.01 -0.00 0.03 0.00 -0.02 -0.04 -0.05 0.01 -0.03 0.02 0.01 0.00 0.01 0.00 0.03 0.00 -0.01 -0.03 -0.06 0.00 0.04 0.09 -0.02 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.02 -0.27 0.02 -0.02 -0.01 0.09 0.22 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.02 -0.01 -0.03 0.01 0.03 0.02 0.03 0.01 -0.01 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.06 0.02 0.01 -0.02 0.01 0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.00 0.03 0.00 0.00 0.00 0.00 -0.00 0.00 0.03 -0.01 -0.01 -0.05 0.01 0.02 0.04 -0.02 -0.01 0.04 0.00 -0.03 -0.01 -0.00 0.02 0.02 -0.00 -0.02 0.00 -0.00 -0.01 0.09 -0.06 -0.06 -0.03 -0.00 0.06 -0.11 0.09 0.05 0.01 -0.05 0.02 -0.04 0.01 -0.02 0.05 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.01 -0.02 0.04 0.01 -0.02 -0.04 0.02 -0.02 -0.01 -0.03 0.04 0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.14 0.06 0.09 -0.02 -0.08 -0.07 -0.04 -0.02 -0.04 -0.00 0.09 0.02 -0.08 0.00 0.05 0.21 -0.20 -0.13 -0.06 0.01 0.03 -0.08 0.04 0.05 -0.03 0.03 0.03 0.03 0.03 -0.01 0.51 -0.42 -0.27 0.13 -0.24 -0.08 -0.10 -0.03 0.02 0.07 0.18 -0.01 -0.13 -0.28 0.04 -0.04 -0.00 0.00 -0.00 -0.00 0.00 0.02 0.03 -0.06 -0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 0.01 -0.02 0.02 0.02 0.04 0.00 0.02 0.01 -0.04 -0.02 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.37 -0.06 -0.07 -0.02 0.01 0.02 0.01 -0.00 0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.01 0.00 -0.10 -0.03 0.04 -0.10 0.08 0.03 -0.15 0.04 0.02 -0.21 -0.01 0.11 0.00 0.02 -0.10 -0.04 0.01 0.05 0.01 0.01 0.03 0.08 -0.06 -0.06 0.05 0.00 -0.09 -0.06 0.05 0.03 0.01 -0.01 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.07 -0.03 -0.04 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.31 -0.07 0.03 0.38 -0.38 -0.10 0.17 -0.03 -0.06 0.16 -0.11 -0.06 0.14 -0.10 -0.12 -0.13 -0.15 0.05 0.23 -0.19 -0.13 0.05 -0.10 -0.03 -0.01 -0.01 -0.00 0.01 0.01 -0.00 0.01 0.02 -0.00 -0.04 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.02 0.01 -0.00 0.03 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.01 -0.01 0.01 -0.01 0.01 0.03 -0.02 0.02 -0.00 0.00 0.00 -0.00 0.00 -0.09 -0.10 0.07 0.02 0.00 -0.01 -0.01 0.01 -0.01 -0.01 -0.01 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.03 -0.13 0.07 0.01 0.12 0.01 -0.11 -0.07 0.02 -0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.03 -0.01 -0.04 -0.01 -0.07 -0.01 0.03 0.29 0.69 -0.14 0.22 0.51 -0.09 -0.04 0.01 0.02 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.12 -0.31 0.15 0.08 -0.27 0.09 0.00 -0.00 -0.00 -0.03 -0.06 -0.09 -0.00 0.17 0.05 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.01 0.01 0.00 0.00 -0.01 0.03 0.01 -0.02 -0.00 0.00 0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.17 0.47 -0.21 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.07 0.12 -0.04 -0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.01 0.01 0.00 0.02 0.01 0.03 -0.01 -0.03 0.03 -0.10 0.04 0.07 -0.21 -0.08 -0.04 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.30 -0.32 0.13 0.04 0.15 -0.35 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.03 -0.10 -0.07 -0.03 0.04 -0.04 -0.00 0.00 0.00 0.01 0.03 0.03 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.06 0.01 0.12 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.04 0.09 0.05 -0.01 -0.02 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.01 0.04 -0.02 -0.04 0.04 -0.02 0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.61 -0.10 0.05 0.08 -0.57 -0.48 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.02 -0.00 -0.00 -0.02 0.03 -0.03 0.07 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.01 0.01 -0.01 0.01 -0.44 -0.19 -0.52 -0.12 0.60 -0.33 -0.02 0.03 0.05 -0.06 0.03 -0.03 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.02 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.02 -0.01 0.00 -0.00 0.00 -0.01 0.08 -0.05 -0.02 0.00 -0.00 -0.00 -0.01 -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.06 0.01 0.03 0.02 -0.07 0.04 -0.37 0.35 0.52 -0.42 0.40 -0.32 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.07 -0.06 0.02 0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.06 -0.02 -0.05 -0.01 -0.01 0.01 0.02 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.01 -0.01 -0.02 -0.02 0.01 -0.01 0.02 -0.01 0.01 -0.01 -0.01 0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.02 -0.02 -0.04 -0.02 0.00 -0.02 -0.01 -0.00 -0.03 0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.23 -0.13 0.61 0.45 0.47 0.07 -0.06 0.01 0.00 0.03 0.06 0.20 -0.17 0.14 0.04 0.05 0.02 -0.03 -0.08 0.05 -0.07 0.02 0.06 -0.09 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.01 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.01 0.20 0.11 0.02 -0.01 0.05 -0.00 -0.00 -0.00 0.00 -0.05 -0.01 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.06 -0.10 -0.16 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.03 0.01 -0.02 -0.02 -0.01 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.05 -0.08 -0.10 0.08 -0.07 0.06 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.49 -0.57 0.21 0.05 -0.32 -0.37 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.05 0.01 0.00 -0.11 -0.04 0.08 0.14 -0.01 0.01 -0.01 0.05 -0.08 -0.00 -0.00 -0.00 -0.03 0.01 0.01 -0.06 0.04 -0.06 0.15 -0.04 0.05 -0.08 -0.06 0.11 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 0.01 0.01 -0.03 -0.04 0.01 0.01 -0.05 -0.03 -0.02 -0.05 0.02 -0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.01 -0.19 -0.26 -0.10 -0.01 -0.11 0.05 -0.06 -0.09 -0.12 0.02 0.12 0.01 -0.05 0.10 0.07 -0.12 -0.38 0.26 -0.36 0.08 0.31 -0.49 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 0.01 0.01 -0.00 0.00 0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.05 -0.02 -0.06 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.05 -0.02 -0.04 0.02 0.02 -0.00 0.00 0.01 0.01 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.02 0.02 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.07 0.04 -0.21 -0.14 -0.14 -0.02 0.01 0.00 -0.01 0.07 0.12 0.65 -0.55 0.36 0.14 0.01 0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.10 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.03 0.01 -0.01 0.01 -0.02 0.02 0.03 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.03 0.01 -0.02 0.01 -0.01 0.02 -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.05 0.03 0.03 0.29 0.46 0.05 -0.09 0.53 0.25 0.04 0.52 -0.14 -0.00 -0.00 0.00 0.02 -0.02 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 -0.01 0.03 0.04 0.02 0.00 -0.10 -0.01 0.02 -0.02 -0.03 0.00 0.03 0.01 -0.01 -0.13 -0.01 0.03 -0.06 0.03 -0.03 -0.03 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.01 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.04 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.03 0.02 -0.01 0.11 -0.06 0.08 0.03 0.08 -0.13 -0.15 -0.02 0.05 -0.00 0.00 -0.00 -0.01 -0.02 0.03 -0.14 -0.01 0.04 0.01 0.05 -0.08 0.06 -0.04 0.06 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.10 -0.05 -0.06 0.12 0.17 0.04 -0.05 0.21 0.08 -0.02 0.21 -0.04 0.01 0.00 -0.00 -0.03 0.03 0.03 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.05 -0.04 -0.00 -0.10 0.03 -0.00 0.50 0.05 -0.14 0.04 0.09 -0.05 -0.05 -0.05 0.05 0.51 0.06 -0.15 0.23 -0.06 0.07 0.14 0.10 -0.18 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.17 0.05 0.08 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.09 -0.01 -0.03 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.12 -0.02 -0.05 -0.00 -0.00 0.00 -0.01 0.01 0.01 -0.02 0.01 -0.01 -0.00 -0.01 0.02 0.02 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.02 0.00 -0.01 0.00 -0.01 0.01 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.69 -0.35 -0.43 0.02 0.02 -0.01 -0.01 0.03 0.01 0.01 0.03 -0.01 0.03 0.00 -0.00 -0.20 0.21 0.16 0.01 0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.04 -0.03 0.01 0.04 0.03 0.01 -0.07 -0.00 0.02 -0.01 -0.03 -0.07 0.07 -0.04 -0.02 -0.08 -0.01 0.02 -0.04 0.01 -0.02 -0.02 -0.01 0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 0.00 -0.02 0.03 -0.02 0.16 -0.24 0.14 -0.15 0.21 0.03 -0.08 0.12 -0.00 -0.00 -0.00 -0.01 0.02 -0.03 -0.04 0.08 -0.12 -0.17 0.17 -0.24 0.00 -0.19 0.29 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.04 -0.04 0.05 0.07 -0.05 0.04 0.02 0.01 -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.12 0.07 -0.03 0.16 -0.06 -0.01 0.11 -0.08 0.11 -0.09 -0.13 0.14 0.07 0.08 -0.06 0.00 0.10 -0.15 0.37 -0.13 0.15 0.20 0.19 -0.32 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.03 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 0.01 -0.00 0.00 0.00 0.00 0.02 0.00 -0.00 -0.16 -0.03 0.07 0.18 -0.01 -0.01 0.26 0.02 -0.06 -0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.26 -0.03 0.08 -0.18 0.02 -0.02 0.14 0.05 -0.09 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.14 0.20 0.00 -0.30 0.03 -0.29 -0.33 -0.08 0.16 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.06 -0.03 -0.01 -0.06 0.01 0.00 -0.32 -0.04 0.10 -0.04 -0.07 0.04 0.03 0.03 -0.01 0.35 0.03 -0.09 0.06 -0.12 0.18 0.08 -0.11 0.16 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.04 0.01 -0.03 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.03 -0.01 0.02 0.03 0.00 -0.01 0.04 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.04 -0.01 0.02 -0.02 0.00 0.00 0.02 0.01 -0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.23 -0.30 0.24 0.53 -0.11 0.46 0.36 0.29 -0.22 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.01 0.01 0.00 -0.05 -0.00 0.01 0.00 0.04 0.01 -0.00 -0.04 -0.01 0.07 0.01 -0.01 0.00 -0.02 0.03 0.01 -0.02 0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.05 0.03 0.07 0.00 0.00 0.00 0.05 0.03 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.07 -0.02 0.03 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.01 -0.00 0.00 0.01 -0.00 0.01 -0.34 0.09 -0.42 0.33 -0.11 0.47 -0.02 0.01 -0.04 -0.04 0.03 -0.04 -0.00 -0.01 -0.00 -0.11 -0.08 -0.03 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.01 0.01 0.02 -0.01 -0.00 -0.01 0.02 -0.06 -0.25 0.12 0.12 -0.27 -0.31 -0.06 0.04 0.20 -0.03 0.05 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.03 -0.00 -0.04 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.02 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.02 0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.09 0.68 0.10 -0.31 -0.12 -0.55 0.30 0.14 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.01 0.01 0.00 0.01 0.00 -0.01 -0.00 -0.03 0.00 -0.02 -0.03 -0.00 -0.03 -0.00 0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.22 -0.12 -0.23 -0.00 -0.00 -0.00 -0.27 -0.12 0.03 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.03 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.01 -0.11 0.02 -0.12 0.09 -0.03 0.10 -0.01 0.01 -0.01 0.00 -0.01 -0.01 0.00 0.00 0.00 0.69 0.32 0.29 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.02 -0.07 0.03 0.03 -0.06 -0.13 0.07 0.12 -0.08 0.13 -0.08 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 -0.33 -0.01 0.16 -0.20 -0.19 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.02 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.03 -0.01 -0.26 0.75 0.28 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.18 0.14 -0.10 0.04 0.03 -0.11 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 0.02 0.00 0.00 0.00 -0.24 -0.32 -0.11 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.02 -0.06 -0.03 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.02 0.02 -0.01 0.02 -0.04 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.40 0.53 0.18 -0.00 -0.00 0.00 -0.04 -0.03 -0.01 0.02 -0.00 0.02 -0.01 0.01 -0.01 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.39 0.11 0.19 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.04 -0.01 0.01 0.10 -0.05 -0.05 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.15 -0.18 -0.22 -0.03 -0.06 -0.02 0.02 0.01 -0.01 -0.00 -0.00 0.03 -0.02 0.02 0.01 -0.01 -0.00 0.01 -0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.34 -0.38 -0.01 -0.00 -0.01 -0.02 -0.02 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 0.04 -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.04 -0.06 0.01 0.03 -0.03 0.05 -0.57 0.62 -0.02 -0.01 0.03 0.02 0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.03 0.04 0.01 0.02 0.01 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.02 -0.01 0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.07 0.05 0.00 0.01 0.03 -0.01 0.01 0.02 -0.01 -0.01 0.01 0.03 0.01 -0.02 0.01 0.00 0.01 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 -0.05 0.04 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.85 -0.25 -0.28 -0.24 -0.26 0.01 -0.01 0.02 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.04 -0.02 -0.05 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.38 0.51 -0.08 0.05 -0.23 0.73 -0.00 0.01 -0.01 -0.01 0.01 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.07 0.02 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.06 -0.19 -0.36 0.86 -0.08 0.28 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.05 -0.07 -0.03 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 -0.01 0.42 -0.14 0.56 0.43 0.53 -0.04 0.06 -0.07 -0.01 0.01 0.04 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.08 0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.98 -0.10 -0.06 -0.06 -0.03 -0.00 0.01 -0.00 0.01 0.01 0.01 0.00 -0.01 0.01 0.00 -0.00 -0.01 0.01 0.01 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.03 0.07 -0.06 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.00 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.46 -0.61 0.08 0.05 -0.18 0.61 -0.00 0.01 -0.01 0.03 -0.01 0.00 -0.01 -0.00 -0.03 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.04 0.05 -0.02 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 -0.00 0.03 -0.01 0.07 0.05 0.06 0.35 -0.50 0.66 0.09 -0.15 -0.38 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.02 -0.07 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.02 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.03 0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.41 0.19 -0.03 0.31 0.06 0.83 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.06 -0.05 -0.03 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.08 -0.01 0.69 0.63 0.33 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.04 -0.03 -0.08 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.10 0.41 0.81 0.38 -0.04 0.11 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 0.04 -0.07 -0.00 -0.00 0.00 0.02 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 -0.05 0.07 -0.01 0.00 0.00 0.00 -0.00 0.01 0.27 -0.49 0.77 0.06 0.03 -0.06 -0.26 0.05 -0.05 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 0.04 -0.06 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.03 -0.02 0.03 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.22 -0.43 0.64 -0.02 0.01 -0.00 -0.00 -0.00 -0.01 -0.05 0.08 -0.13 0.38 0.20 -0.35 -0.14 0.03 -0.02 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.08 0.03 -0.04 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.80 -0.38 0.05 0.15 0.03 0.42 0.00 -0.00 -0.00 0.02 0.01 -0.02 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.09 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.16 -0.23 0.29 -0.21 0.34 0.82 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.03 -0.04 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.04 0.02 -0.03 -0.05 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.15 -0.29 0.43 0.01 -0.01 0.00 0.00 0.00 0.00 0.05 -0.09 0.13 -0.40 -0.20 0.37 0.56 -0.10 0.10 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.02 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.04 -0.02 0.04 -0.07 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.07 0.13 -0.18 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.05 -0.09 0.14 0.40 0.21 -0.38 0.73 -0.14 0.13 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.04 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.47 0.26 -0.05 0.39 0.21 -0.41 0.21 0.09 0.54 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.02 0.01 -0.08 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.09 0.06 -0.03 -0.48 -0.27 0.49 0.25 0.11 0.61 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.02 -0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.72 -0.41 0.08 0.18 0.11 -0.20 0.16 0.08 0.43 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.04 -0.06 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.53 0.80 0.29 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:atomicNumber" size="55">16 16 8 8 8 8 8 8 7 7 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                     </module>
                  </module>
                  <table id="l716.forcematrix"/>
               </property>
               <property dictRef="cc:thermochemistry">
                  <list id="l716.thermochemistry">
                     <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.150</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:press" units="nonsi:atm">1.00000</scalar>
                     <list cmlx:templateRef="mass">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="55">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55</array>
                        <array dataType="xsd:integer" dictRef="x:elementType" size="55">16 16 8 8 8 8 8 8 7 7 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:double" dictRef="cc:atomicmass" size="55">31.97207 31.97207 15.99491 15.99491 15.99491 15.99491 15.99491 15.99491 14.00307 14.00307 14.00307 14.00307 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783</array>
                     </list>
                     <scalar cmlx:templateRef="molmass" dataType="xsd:double" dictRef="cc:molmass">518.09165</scalar>
                     <matrix cols="3" dataType="xsd:double" dictRef="cc:moi.eigenvectors" rows="3">0.99547 0.05583 -0.07696 -0.09164 0.77938 -0.61981 0.02538 0.62406 0.78096</matrix>
                     <scalar dataType="xsd:string" dictRef="g:top">asymmetric</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:symmnumber">1</scalar>
                     <array cmlx:templateRef="rottemp" dataType="xsd:double" dictRef="cc:rottemp" size="3">0.00851 0.00188 0.00180</array>
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.17724 0.03919 0.03753</array>
                     <scalar dataType="xsd:double" dictRef="cc:zpe" units="u:jmol-1">1078590.5</scalar>
                     <array dataType="xsd:double" dictRef="cc:vibtemp" size="159">13.86 19.84 26.41 35.05 35.99 45.29 57.43 64.34 71.23 95.44 99.68 112.67 121.72 139.71 148.12 156.60 162.91 173.64 189.26 220.50 232.25 252.84 280.60 318.62 338.82 353.97 363.26 391.24 399.10 424.26 450.58 486.09 491.88 501.99 532.15 541.01 561.28 597.33 608.46 632.22 682.20 684.48 692.50 711.19 715.03 752.05 780.33 814.21 815.42 849.94 859.62 865.47 900.27 959.23 977.16 996.95 1017.62 1037.39 1050.17 1054.40 1072.74 1080.04 1120.92 1125.92 1148.67 1158.36 1165.88 1182.60 1230.19 1255.15 1265.23 1268.08 1285.17 1292.29 1313.91 1334.12 1357.71 1369.06 1386.66 1394.72 1436.56 1450.97 1462.80 1478.12 1530.12 1542.05 1554.92 1575.37 1597.32 1616.39 1618.41 1639.80 1673.57 1690.74 1715.03 1728.44 1732.55 1734.48 1746.33 1749.29 1779.41 1791.27 1813.91 1821.87 1842.31 1849.48 1869.94 1881.55 1887.33 1900.99 1909.31 1930.93 1942.88 1970.59 1975.40 1977.36 1981.44 2008.11 2050.01 2056.83 2077.80 2097.59 2111.17 2125.12 2129.09 2148.71 2190.57 2203.41 2215.42 2227.24 2349.75 2385.27 2393.60 2408.56 2410.88 2462.38 2504.04 2529.12 2648.39 4383.09 4411.90 4434.67 4457.42 4464.30 4470.33 4472.69 4501.12 4510.58 4548.06 4574.15 4591.61 4602.31 4603.45 4608.89 4627.40 4930.06 5063.96 5071.23 5219.06</array>
                  </list>
               </property>
               <property dictRef="cc:zeropoint">
                  <list id="l716.zeropoint">
                     <scalar dataType="xsd:string" dictRef="cc:zpe.correction" units="nonsi:hartree">0.410813</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:zpe.thermalcorrener" units="nonsi:hartree">0.443500</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:zpe.thermalcorrenthalpy" units="nonsi:hartree">0.444444</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:zpe.thermalcorrgfe" units="nonsi:hartree">0.339367</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:zpe.sumelectzpe" units="nonsi:hartree">-2404.880571</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:zpe.sumelectthermal" units="nonsi:hartree">-2404.847884</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:zpe.sumelectthermalent" units="nonsi:hartree">-2404.846939</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:zpe.sumelectthermalfe" units="nonsi:hartree">-2404.952017</scalar>
                  </list>
               </property>
               <property>
                  <module cmlx:templateRef="l716.thermoprops">
                     <list cmlx:templateRef="total">
                        <scalar dataType="xsd:double" dictRef="cc:ethermo.total">278.301</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:cv.total">119.496</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:s.total">221.155</scalar>
                     </list>
                     <list cmlx:templateRef="elect">
                        <scalar dataType="xsd:double" dictRef="cc:ethermo.elect">0.000</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:cv.elect">0.000</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:s.elect">0.000</scalar>
                     </list>
                     <list cmlx:templateRef="trans">
                        <scalar dataType="xsd:double" dictRef="cc:ethermo.trans">0.889</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:cv.trans">2.981</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:s.trans">44.621</scalar>
                     </list>
                     <list cmlx:templateRef="rot">
                        <scalar dataType="xsd:double" dictRef="cc:ethermo.rot">0.889</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:cv.rot">2.981</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:s.rot">38.353</scalar>
                     </list>
                     <list cmlx:templateRef="vib">
                        <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">276.523</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:cv.vib">113.534</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:s.vob">138.180</scalar>
                     </list>
                     <list cmlx:templateRef="vibn">
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">1</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.593</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.987</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">8.085</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">2</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.593</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.986</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">7.373</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">3</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.593</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.986</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">6.804</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">4</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.593</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.985</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">6.243</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">5</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.593</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.985</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">6.190</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">6</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.594</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.983</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">5.734</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">7</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.594</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.981</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">5.263</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">8</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.595</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.980</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">5.038</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">9</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.595</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.978</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">4.837</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">10</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.598</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.970</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">4.259</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">11</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.598</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.969</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">4.174</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">12</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.600</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.964</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">3.933</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">13</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.601</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.960</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">3.781</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">14</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.603</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.951</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">3.512</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">15</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.605</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.947</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">3.398</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">16</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.606</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.942</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">3.289</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">17</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.607</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.938</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">3.213</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">18</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.609</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.932</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">3.089</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">19</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.612</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.922</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">2.923</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">20</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.619</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.899</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">2.631</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">21</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.622</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.890</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">2.533</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">22</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.628</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.872</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">2.373</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">23</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.636</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.847</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">2.180</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">24</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.648</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.808</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.947</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">25</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.655</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.786</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.837</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">26</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.660</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.769</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.759</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">27</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.664</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.759</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.713</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">28</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.675</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.725</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.584</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">29</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.678</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.715</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.550</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">30</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.689</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.683</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.446</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">31</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.701</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.649</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.346</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">32</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.718</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.600</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.222</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">33</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.721</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.592</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.203</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">34</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.726</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.578</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.171</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">35</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.742</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.534</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.080</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">36</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.747</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.521</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.055</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">37</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.758</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.491</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.000</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">38</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.779</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.437</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.909</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">39</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.785</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.420</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.882</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">40</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.799</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.384</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.828</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">41</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.831</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.307</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.726</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">42</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.832</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.304</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.722</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">43</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.838</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.292</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.707</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">44</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.850</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.263</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.673</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">45</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.852</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.257</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.666</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">46</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.878</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.200</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.604</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">47</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.897</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.156</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.560</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">48</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.922</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.105</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.512</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">49</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.923</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.103</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.511</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">50</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.948</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.052</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.466</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">51</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.955</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.037</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.454</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">52</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.960</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.029</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.447</scalar>
                        </list>
                     </list>
                     <list cmlx:templateRef="totalv0">
                        <scalar dataType="xsd:double" dictRef="cc:q.v0">0.729707e+33</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:logq.v0">32.863148</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:lnq.v0">75.670196</scalar>
                     </list>
                     <list cmlx:templateRef="vibv0">
                        <scalar dataType="xsd:double" dictRef="cc:q.vibv0">0.292871e+17</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:logq.vibv0">16.466677</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:lnq.vibv0">37.915925</scalar>
                     </list>
                     <list cmlx:templateRef="elect">
                        <scalar dataType="xsd:double" dictRef="cc:q.elect">0.100000e+01</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:logq.elect">0.000000</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:lnq.elect">0.000000</scalar>
                     </list>
                     <list cmlx:templateRef="trans">
                        <scalar dataType="xsd:double" dictRef="cc:q.trans">0.463515e+09</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:logq.trans">8.666064</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:lnq.trans">19.954349</scalar>
                     </list>
                     <list cmlx:templateRef="rot">
                        <scalar dataType="xsd:double" dictRef="cc:q.rot">0.537536e+08</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:logq.rot">7.730408</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:lnq.rot">17.799922</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:forces">
                  <scalar dictRef="cc:linkToAtoms">./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999']</scalar>
               </property>
               <property dictRef="cc:multipole">
                  <list cmlx:templateRef="multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">66.1734 -15.1520 -9.4433</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">68.5396</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-375.1111 -192.2601 -281.1723</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-138.9182 -0.1827 -27.2481</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-92.2633 90.5878 1.6755 -138.9182 -0.1827 -27.2481</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">2816.4843 -227.8489 15.9307 675.1242 -196.1799 242.2687 353.4231 -153.3223 103.3945 -61.5981</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-36592.5556 -3455.9974 -4503.3433 -3652.9605 -1852.7152 -873.4748 -628.4541 -550.6292 -551.5018 -5868.1843 -6288.2619 -1425.9079 -336.0384 12.1925 665.5165</array>
                  </list>
               </property>
            </propertyList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l9999.archive" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="g:zmat">0</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:hfenergy" units="nonsi:hartree">-2405.2913839</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsd" units="nonsi:unknown">3.285E-9</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsf" units="nonsi:unknown">1.96E-6</scalar>
                  <scalar dataType="xsd:string" dictRef="x:ZeroPoint">0.4108134</scalar>
                  <scalar dataType="xsd:string" dictRef="x:Thermal">0.4435003</scalar>
                  <scalar dataType="xsd:string" dictRef="x:Quadrupole">-68.5954974,67.3497743,1.2457231,-103.2822928,-0.1358303,-20.258291</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:pointgroup">C01 [X(C20H20N7O6S2)]</scalar>
                  <array dataType="xsd:double" dictRef="cc:dipole" size="3" units="nonsi:debye">25.4197932 -5.8020266 -4.1202036</array>
                  <array dataType="xsd:double" dictRef="cc:dipolederiv" size="495" units="nonsi:unknown">-0.2722069 -0.0294647 -0.0661582 -0.0560867 -0.1915708 -0.0243463 0.0474978 0.1071058 -0.3908847 -0.2564475 0.1803731 0.0305884 -0.1113466 0.0703989 -0.2325833 -0.0999463 -0.1584698 -0.0545207 -0.7936178 0.0776558 -0.0115309 0.5422699 -1.0109681 0.9514815 -0.4888522 0.6452688 -1.422529 -1.2287312 -0.2910241 -0.3222601 -0.3219117 -0.7086861 -0.2473007 -0.5235449 -0.3255656 -1.6475643 -1.4087943 -0.1421559 0.0710126 -0.5378029 -1.0542691 -0.1481548 0.0124406 -0.2949347 -0.5600982 -1.6149957 -0.4062391 -0.0398547 -0.4649235 -0.7085229 -0.0006164 0.2114786 0.0413952 -1.1682622 -0.6756419 -0.0816811 0.1649536 -0.0847341 -2.0847758 -0.0708852 0.1687589 0.2089223 -0.7501544 -0.9916209 0.1272384 0.4530688 -0.0035517 -1.3349012 -0.2086079 0.3517173 -0.3492448 -1.0692141 -2.0600804 0.4169426 -0.6089743 0.9332811 -0.7118314 0.5269134 -0.1173037 0.1202608 -0.9028854 -1.9207024 0.1643487 0.2294316 0.4625696 -0.6202253 0.0067525 0.6176855 -0.0227785 -0.6162166 -0.2048721 0.0913716 -0.0895011 0.1010301 -0.4083369 0.0157906 -0.0948191 0.32006 -0.2483619 -0.4050706 -0.0122977 -0.227216 0.1146025 -0.4989557 0.1794742 -0.2401953 -0.1751373 -0.7542675 -0.3609924 -0.1255601 0.1123797 -0.2084603 -0.6298191 0.1475373 0.0586007 0.0191467 -0.3103944 -0.1648568 -0.284698 -0.0353293 -0.2164378 -0.0570052 -0.4186681 -0.1408147 -0.5281772 -0.3482712 -0.2419217 0.1494771 0.0147462 0.0791529 -0.2830169 0.3408675 -0.0148939 0.2539014 -0.0245226 0.0230241 0.2908466 0.0728746 0.3008839 0.3803177 -0.0558627 0.0146822 -0.0252651 0.8468793 0.3140818 -0.2383785 0.1343574 -0.9348709 0.43618 0.1672282 -0.2887034 0.1894876 0.1915067 1.9037529 -0.5389065 0.4158231 -1.0625624 1.2525537 -1.4197544 0.7590096 -0.9397168 1.7322435 1.1700776 -0.1512694 0.3718576 -0.1919705 0.1097433 0.0540868 -0.0110417 0.1561836 -0.2660149 -0.3891014 0.0846446 0.0592671 0.1793901 -0.2963704 0.0561628 -0.1975709 -0.1162046 0.0515562 0.3981844 -0.15205 -0.2592074 -0.1138255 0.2564448 0.0960527 -0.0136987 -0.0378796 0.0452539 0.7496144 0.1734336 0.1733776 0.4640048 0.3289268 0.1533748 0.187926 0.1564019 -0.0113265 2.6181128 0.1086521 -0.4240778 0.3994238 1.1700983 0.3059169 -0.5911302 0.4934407 0.6162012 1.8504913 0.7209924 0.0960293 0.6976964 0.5909689 0.0864772 0.1308042 0.249492 2.1888774 0.0016812 0.1199381 0.0778707 0.1622444 -0.0267758 -0.1385991 0.2046304 -0.2527859 -0.0490565 0.406075 -0.2165192 0.0399328 -0.0581088 0.0074567 -0.0375589 -0.0766705 -0.031488 -0.0138716 -0.1736788 -0.0417322 0.0757653 0.0256929 -0.1482342 -0.0902741 0.0636782 -0.0132148 -0.095825 -0.2809792 -0.0088106 0.0478547 -0.0571271 -0.0392386 -0.1198715 0.0590543 -0.0954563 0.053451 0.4899406 0.0796376 0.4316906 -0.1267699 0.3887727 -0.0158216 0.6700592 0.2790851 1.0564569 0.4197171 0.2231663 -0.1821018 0.3125428 0.9055915 -0.1693714 -0.0900996 -0.0160372 0.3245894 -0.055124 0.0486241 -0.0539403 -0.0398685 -0.0800404 -0.0862101 0.0692415 -0.0814253 0.0397955 0.098106 0.0298109 -0.0754246 0.0307377 -0.0379431 -0.0845449 -0.0676761 -0.0803774 0.0604546 0.1098966 -0.0450574 0.0709682 -0.0339802 -0.1472477 0.0343467 0.0140422 0.0305227 -0.1549713 0.061018 -0.3298802 0.2154337 -0.0790527 0.5568821 0.1484275 0.2401846 0.235979 0.0117015 0.825585 0.0294014 -0.8163235 0.0802752 2.4512985 0.116073 -0.7781797 -0.1267426 1.1583397 0.2690864 -0.0336296 0.048048 -0.0107121 0.2524521 -0.0879246 0.0815354 -0.0915385 0.2928067 0.2997407 -0.0159198 -0.0159536 -0.0173746 0.327159 -0.0626487 -0.0069936 -0.047483 0.3006945 0.3163302 0.0154376 -0.0135309 -0.0299693 0.2303453 0.0111571 -0.0218808 -0.0428915 0.3194241 0.3160561 0.0264512 0.0025146 0.046568 0.2943954 0.0048803 0.0016179 0.0063318 0.3051271 -0.0260278 0.0012239 -0.0514695 -0.0594829 -0.1504098 -0.0337513 -0.0352485 -0.0396492 -0.0781493 0.0682723 -0.0638127 -0.0895891 0.0647174 0.0605221 -0.0247543 0.0330198 -0.0022129 0.0976488 -0.0299417 0.0721274 0.0917866 0.1010801 -0.1175246 0.0582024 0.0175886 0.0316865 -0.0375066 -0.0530521 -0.0178842 -0.0601571 -0.0203313 0.0528412 -0.0856959 -0.0814993 -0.0281058 -0.0158212 -0.0151069 -0.0226978 -0.0226159 -0.0489643 -0.0282576 0.0614101 -0.0437652 0.0920572 0.0240387 -0.0664008 -0.054251 -0.0055256 -0.125058 0.0184296 -0.1021776 0.0793725 -0.0846214 0.0511927 -0.128895 -0.0451925 0.0106278 -0.0645583 -0.0863605 -0.0114582 0.0487171 0.0564367 0.0967583 0.030597 0.0296216 0.0461419 0.0721799 0.0299247 0.0476677 -0.0296786 0.0418918 -0.042556 0.0639964 0.043834 -0.0739262 0.0350789 0.0571851 0.1004077 -0.0422628 0.1025919 -0.0232158 -0.0486431 -0.0131492 0.0386884 -0.0478277 0.0248663 0.0053228 -0.0241031 -0.0113052 0.1126997 0.0609242 -0.0180031 -0.0535729 -0.0547443 -0.0117716 0.0941822 0.0039915 0.0181896 -0.0203011 0.0801342 0.0175001 -0.0090012 0.0357582 0.0562607 0.1087303 -0.0431527 0.1250526 -0.0510538 -0.0185839 -0.0405108 0.0905695 -0.0513891 0.0941061 0.0622369 0.0967461 0.064929 0.0155192 -0.1054348 0.0343251 -0.0236168 0.040007 0.1142094 0.0235904 -0.0344763 0.0286284 0.0934739 0.1067451 0.0015708 -0.0322139 -0.0172134 -0.0176143 -0.0184032 0.0052768 -0.0744803 -0.058573 -0.0597193 0.0621288 -0.0245877 -0.0301703 -0.0276577 0.0310936 -0.0511551 0.0187405 0.0996989</array>
                  <array dataType="xsd:double" delimiter="|" dictRef="cc:polarizability" size="6" units="nonsi:unknown">478.9693213|-3.9007701|334.5142855|36.3522435|-28.4885154|395.1138668</array>
               </module>
            </module>
            <molecule formalCharge="-1" id="mol9999" spinMultiplicity="1">
               <atomArray>
                  <atom elementType="S" id="a1" x3="-0.29471105" y3="1.45813544" z3="-1.56871751">
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.55" size="3">-0.000001013 -0.000001290 -0.000000917</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.56" size="3">0.000000224 -0.000000362 0.000002432</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.57" size="3">0.000001594 0.000002436 -0.000000157</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.58" size="3">0.000001615 0.000003107 -0.000001201</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.59" size="3">-0.000000284 0.000000671 -0.000003577</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.60" size="3">0.000001327 0.000002117 0.000001089</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.61" size="3">0.000000362 -0.000001700 0.000007276</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.62" size="3">0.000000502 -0.000001078 0.000005809</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.63" size="3">0.000000528 0.000001079 -0.000001182</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.64" size="3">-0.000000045 0.000000198 -0.000001561</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.65" size="3">-0.000000950 -0.000002751 0.000003884</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.66" size="3">-0.000001201 -0.000002559 0.000002094</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.67" size="3">0.000001236 0.000001592 0.000001017</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.68" size="3">-0.000001665 -0.000003804 0.000003886</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.69" size="3">-0.000001792 -0.000003669 0.000002774</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.70" size="3">-0.000000307 0.000000174 -0.000001943</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.71" size="3">0.000000129 0.000001038 -0.000001915</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.72" size="3">0.000000797 0.000001999 -0.000001251</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.73" size="3">0.000000661 0.000001051 -0.000000447</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.74" size="3">0.000000029 0.000000041 -0.000000144</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.75" size="3">-0.000000893 -0.000001239 -0.000000618</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.76" size="3">-0.000000040 -0.000000133 0.000000439</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.77" size="3">-0.000000323 0.000000218 -0.000002270</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.78" size="3">0.000002207 0.000002755 0.000000207</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.79" size="3">-0.000000505 -0.000000421 -0.000001596</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.80" size="3">-0.000000360 0.000000043 -0.000002134</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.81" size="3">0.000000290 0.000001242 -0.000001699</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.82" size="3">-0.000000928 -0.000000604 -0.000002990</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.83" size="3">-0.000000653 -0.000001874 0.000002872</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.84" size="3">0.000000937 0.000001845 -0.000000490</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.85" size="3">0.000000673 0.000001589 -0.000002182</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.86" size="3">-0.000000870 -0.000000123 -0.000003626</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.87" size="3">0.000000041 0.000000974 -0.000003249</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.88" size="3">-0.000000573 -0.000002391 0.000004991</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.89" size="3">0.000000122 -0.000001569 0.000006241</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.90" size="3">-0.000000095 -0.000000019 -0.000000437</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.91" size="3">0.000001364 0.000001829 0.000000909</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.92" size="3">0.000001654 0.000002101 0.000001676</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.93" size="3">0.000000695 0.000000704 0.000001305</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.94" size="3">-0.000000489 0.000000114 -0.000003036</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.95" size="3">0.000000281 0.000001396 -0.000003086</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.96" size="3">-0.000001258 -0.000001521 -0.000001527</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.97" size="3">-0.000001188 -0.000001959 0.000000290</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.98" size="3">-0.000000542 -0.000000881 0.000000170</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.99" size="3">0.000000533 0.000000734 0.000000260</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.100" size="3">-0.000000383 -0.000000484 -0.000000347</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.101" size="3">-0.000001251 -0.000001443 -0.000001730</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.102" size="3">-0.000001548 -0.000001414 -0.000003407</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.103" size="3">0.000001016 0.000001659 -0.000000355</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.104" size="3">0.000001647 0.000002871 -0.000000865</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.105" size="3">0.000001202 0.000002390 -0.000001769</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.106" size="3">-0.000001242 -0.000000640 -0.000004374</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.107" size="3">0.000000121 0.000001294 -0.000003585</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.108" size="3">-0.000001017 -0.000003345 0.000005540</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.109" size="3">-0.000000372 -0.000001983 0.000004507</array>
                     </property>
                  </atom>
                  <atom elementType="S" id="a2" x3="-4.82799711" y3="0.57187667" z3="0.3870336"/>
                  <atom elementType="O" id="a3" x3="0.84172129" y3="0.07631472" z3="2.48852989"/>
                  <atom elementType="O" id="a4" x3="-1.30234706" y3="2.10366261" z3="3.66112505"/>
                  <atom elementType="O" id="a5" x3="4.42223922" y3="1.41182865" z3="-0.3432879"/>
                  <atom elementType="O" id="a6" x3="-3.2328092" y3="1.1451088" z3="2.9674072"/>
                  <atom elementType="O" id="a7" x3="-6.32207509" y3="-3.7352819" z3="-0.76932517"/>
                  <atom elementType="O" id="a8" x3="-7.03709909" y3="-1.72464845" z3="0.00813761"/>
                  <atom elementType="N" id="a9" x3="-0.22572177" y3="1.73124724" z3="1.13527138"/>
                  <atom elementType="N" id="a10" x3="2.39179769" y3="0.37576309" z3="-0.29206643"/>
                  <atom elementType="N" id="a11" x3="-5.75377472" y3="-0.38390731" z3="-2.02860482"/>
                  <atom elementType="N" id="a12" x3="-6.03814094" y3="1.76054402" z3="-1.81617021"/>
                  <atom elementType="N" id="a13" x3="4.86625117" y3="-3.8547672" z3="0.64221156"/>
                  <atom elementType="N" id="a14" x3="-6.3716956" y3="0.05708831" z3="-3.14762243"/>
                  <atom elementType="N" id="a15" x3="-6.51863567" y3="1.33880954" z3="-3.01115756"/>
                  <atom elementType="C" id="a16" x3="0.4967521" y3="2.146266" z3="-0.06365241"/>
                  <atom elementType="C" id="a17" x3="1.74640041" y3="1.38767246" z3="0.49075116"/>
                  <atom elementType="C" id="a18" x3="0.77977739" y3="0.90078794" z3="1.60411733"/>
                  <atom elementType="C" id="a19" x3="-1.61695371" y3="1.79152651" z3="1.33583142"/>
                  <atom elementType="C" id="a20" x3="-2.42115702" y3="2.02416867" z3="0.27146263"/>
                  <atom elementType="C" id="a21" x3="-1.95421577" y3="2.15441213" z3="-1.16596089"/>
                  <atom elementType="C" id="a22" x3="-3.90393388" y3="2.20006513" z3="0.4370479"/>
                  <atom elementType="C" id="a23" x3="3.7083258" y3="0.46510062" z3="-0.6564917"/>
                  <atom elementType="C" id="a24" x3="-2.09433086" y3="1.66049709" z3="2.79752365"/>
                  <atom elementType="C" id="a25" x3="4.21740848" y3="-0.70334466" z3="-1.51019206"/>
                  <atom elementType="C" id="a26" x3="5.66848016" y3="-1.04231509" z3="-1.23199259"/>
                  <atom elementType="C" id="a27" x3="6.07514308" y3="-1.79831153" z3="-0.11214705"/>
                  <atom elementType="C" id="a28" x3="6.65368124" y3="-0.5584033" z3="-2.10144129"/>
                  <atom elementType="C" id="a29" x3="-5.5663723" y3="0.67337695" z3="-1.2075816"/>
                  <atom elementType="C" id="a30" x3="5.08970489" y3="-2.36579486" z3="0.87921677"/>
                  <atom elementType="C" id="a31" x3="7.43939219" y3="-2.04038876" z3="0.1056924"/>
                  <atom elementType="C" id="a32" x3="8.00707745" y3="-0.81471038" z3="-1.88533619"/>
                  <atom elementType="C" id="a33" x3="8.40512524" y3="-1.55957269" z3="-0.7752848"/>
                  <atom elementType="C" id="a34" x3="-5.47262681" y3="-1.79809499" z3="-1.82203006"/>
                  <atom elementType="C" id="a35" x3="-6.38960415" y3="-2.48501311" z3="-0.75042993"/>
                  <atom elementType="H" id="a36" x3="1.85277583" y3="-0.42843899" z3="-0.58273565"/>
                  <atom elementType="H" id="a37" x3="5.74173099" y3="-4.37801008" z3="0.73556465"/>
                  <atom elementType="H" id="a38" x3="4.20098011" y3="-4.24292679" z3="1.31795059"/>
                  <atom elementType="H" id="a39" x3="4.5004928" y3="-4.04243539" z3="-0.29561251"/>
                  <atom elementType="H" id="a40" x3="0.59174238" y3="3.23018838" z3="-0.1597887"/>
                  <atom elementType="H" id="a41" x3="2.5165135" y3="2.07430715" z3="0.84692514"/>
                  <atom elementType="H" id="a42" x3="-1.97768368" y3="3.2042849" z3="-1.48108454"/>
                  <atom elementType="H" id="a43" x3="-2.64568867" y3="1.61566292" z3="-1.8219698"/>
                  <atom elementType="H" id="a44" x3="-4.33390851" y3="2.82137047" z3="-0.3507549"/>
                  <atom elementType="H" id="a45" x3="-4.15324587" y3="2.60886307" z3="1.41168445"/>
                  <atom elementType="H" id="a46" x3="3.56068999" y3="-1.57105658" z3="-1.40178633"/>
                  <atom elementType="H" id="a47" x3="4.12107831" y3="-0.38526462" z3="-2.55407702"/>
                  <atom elementType="H" id="a48" x3="6.35083873" y3="0.02793984" z3="-2.96379274"/>
                  <atom elementType="H" id="a49" x3="4.10471953" y3="-1.90537886" z3="0.83568545"/>
                  <atom elementType="H" id="a50" x3="5.45826284" y3="-2.28964312" z3="1.90277591"/>
                  <atom elementType="H" id="a51" x3="7.74845328" y3="-2.605457" z3="0.98141574"/>
                  <atom elementType="H" id="a52" x3="8.74693454" y3="-0.42852153" z3="-2.57948761"/>
                  <atom elementType="H" id="a53" x3="9.45588433" y3="-1.75796287" z3="-0.59100827"/>
                  <atom elementType="H" id="a54" x3="-5.58327205" y3="-2.2854862" z3="-2.79049149"/>
                  <atom elementType="H" id="a55" x3="-4.43072436" y3="-1.89494307" z3="-1.5019393"/>
               </atomArray>
               <bondArray/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">498.3872999999997</scalar>
               </property>
            <formula convention="iupac:inchi" inline="InChI=1/20C.7N.6O.2S.20H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;9;10;11;12;13;14;15;3;4;5;6;7;8;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.2947,1.4581,-1.5687;-4.828,.5719,.387;.8417,.0763,2.4885;-1.3023,2.1037,3.6611;4.4222,1.4118,-.3433;-3.2328,1.1451,2.9674;-6.3221,-3.7353,-.7693;-7.0371,-1.7246,.0081;-.2257,1.7312,1.1353;2.3918,.3758,-.2921;-5.7538,-.3839,-2.0286;-6.0381,1.7605,-1.8162;4.8663,-3.8548,.6422;-6.3717,.0571,-3.1476;-6.5186,1.3388,-3.0112;.4968,2.1463,-.0637;1.7464,1.3877,.4908;.7798,.9008,1.6041;-1.617,1.7915,1.3358;-2.4212,2.0242,.2715;-1.9542,2.1544,-1.166;-3.9039,2.2001,.437;3.7083,.4651,-.6565;-2.0943,1.6605,2.7975;4.2174,-.7033,-1.5102;5.6685,-1.0423,-1.232;6.0751,-1.7983,-.1121;6.6537,-.5584,-2.1014;-5.5664,.6734,-1.2076;5.0897,-2.3658,.8792;7.4394,-2.0404,.1057;8.0071,-.8147,-1.8853;8.4051,-1.5596,-.7753;-5.4726,-1.7981,-1.822;-6.3896,-2.485,-.7504;1.8528,-.4284,-.5827;5.7417,-4.378,.7356;4.201,-4.2429,1.318;4.5005,-4.0424,-.2956;.5917,3.2302,-.1598;2.5165,2.0743,.8469;-1.9777,3.2043,-1.4811;-2.6457,1.6157,-1.822;-4.3339,2.8214,-.3508;-4.1532,2.6089,1.4117;3.5607,-1.5711,-1.4018;4.1211,-.3853,-2.5541;6.3508,.0279,-2.9638;4.1047,-1.9054,.8357;5.4583,-2.2896,1.9028;7.7485,-2.6055,.9814;8.7469,-.4285,-2.5795;9.4559,-1.758,-.591;-5.5833,-2.2855,-2.7905;-4.4307,-1.8949,-1.5019;</scalar>
</formula>
</molecule>
         </module>
      </module>
   </module>
</module>
