<?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">remark line goes here</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">42</scalar>
               </parameter>
               <parameter dictRef="cc:natoms">
                  <scalar dataType="xsd:integer">42</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">#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)NoSymm</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Int=UltraFine</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Freq</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Test</scalar>
               </parameter>
            </parameterList>
            <molecule cmlx:templateRef="mol" formalCharge="0" id="zmat" spinMultiplicity="1">
               <atomArray>
                  <atom elementType="S" id="a1" x3="1.3388" y3="-0.3690" z3="-1.5670"/>
                  <atom elementType="O" id="a2" x3="-3.6116" y3="2.0957" z3="-0.4796"/>
                  <atom elementType="O" id="a3" x3="-4.5812" y3="-0.2814" z3="2.0940"/>
                  <atom elementType="O" id="a4" x3="-0.5873" y3="2.9139" z3="-1.4953"/>
                  <atom elementType="O" id="a5" x3="0.5562" y3="2.6782" z3="0.4721"/>
                  <atom elementType="N" id="a6" x3="-1.9368" y3="0.6263" z3="0.2911"/>
                  <atom elementType="N" id="a7" x3="4.3862" y3="-0.8110" z3="-0.1288"/>
                  <atom elementType="N" id="a8" x3="3.6537" y3="-0.2848" z3="0.9416"/>
                  <atom elementType="N" id="a9" x3="5.6080" y3="0.7287" z3="0.9998"/>
                  <atom elementType="C" id="a10" x3="-2.2184" y3="-0.8215" z3="0.3187"/>
                  <atom elementType="C" id="a11" x3="-3.6667" y3="-0.4358" z3="-0.1223"/>
                  <atom elementType="C" id="a12" x3="-1.0845" y3="-1.4316" z3="-0.5292"/>
                  <atom elementType="C" id="a13" x3="-3.1658" y3="1.0255" z3="-0.1325"/>
                  <atom elementType="C" id="a14" x3="-0.1823" y3="-0.2358" z3="-0.7780"/>
                  <atom elementType="C" id="a15" x3="-0.7431" y3="0.8898" z3="-0.3172"/>
                  <atom elementType="C" id="a16" x3="-4.8715" y3="-0.6763" z3="0.7518"/>
                  <atom elementType="C" id="a17" x3="-1.5570" y3="-2.1333" z3="-1.7919"/>
                  <atom elementType="C" id="a18" x3="2.2006" y3="-1.5019" z3="-0.4144"/>
                  <atom elementType="C" id="a19" x3="-5.3015" y3="-2.1405" z3="0.7589"/>
                  <atom elementType="C" id="a20" x3="3.6624" y3="-1.7518" z3="-0.9115"/>
                  <atom elementType="C" id="a21" x3="2.3208" y3="-0.8381" z3="0.9917"/>
                  <atom elementType="C" id="a22" x3="-0.2047" y3="2.3005" z3="-0.4611"/>
                  <atom elementType="C" id="a23" x3="5.5844" y3="-0.1812" z3="-0.0876"/>
                  <atom elementType="C" id="a24" x3="4.4012" y3="0.6354" z3="1.5965"/>
                  <atom elementType="H" id="a25" x3="-2.1727" y3="-1.2016" z3="1.3494"/>
                  <atom elementType="H" id="a26" x3="-3.8945" y3="-0.7589" z3="-1.1485"/>
                  <atom elementType="H" id="a27" x3="-0.5576" y3="-2.1631" z3="0.0958"/>
                  <atom elementType="H" id="a28" x3="-5.7110" y3="-0.0637" z3="0.4026"/>
                  <atom elementType="H" id="a29" x3="-0.7267" y3="-2.6283" z3="-2.3060"/>
                  <atom elementType="H" id="a30" x3="-2.3045" y3="-2.8963" z3="-1.5498"/>
                  <atom elementType="H" id="a31" x3="-2.0161" y3="-1.4314" z3="-2.4968"/>
                  <atom elementType="H" id="a32" x3="1.6475" y3="-2.4447" z3="-0.3774"/>
                  <atom elementType="H" id="a33" x3="-4.5044" y3="-2.7777" z3="1.1578"/>
                  <atom elementType="H" id="a34" x3="-6.1768" y3="-2.2843" z3="1.4010"/>
                  <atom elementType="H" id="a35" x3="-5.5434" y3="-2.4860" z3="-0.2508"/>
                  <atom elementType="H" id="a36" x3="3.9955" y3="-2.7572" z3="-0.6345"/>
                  <atom elementType="H" id="a37" x3="3.8145" y3="-1.5921" z3="-1.9818"/>
                  <atom elementType="H" id="a38" x3="1.6102" y3="-0.0487" z3="1.2366"/>
                  <atom elementType="H" id="a39" x3="2.3307" y3="-1.5983" z3="1.7788"/>
                  <atom elementType="H" id="a40" x3="-5.3866" y3="-0.4201" z3="2.6211"/>
                  <atom elementType="H" id="a41" x3="6.4100" y3="-0.3179" z3="-0.7666"/>
                  <atom elementType="H" id="a42" x3="4.0685" y3="1.1995" z3="2.4555"/>
               </atomArray>
               <bondArray/>
               <formula concise="C15H18N4O4S"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">332.2498999999998</scalar>
               </property>
               <list cmlx:templateRef="charge">
                  <list>
                     <scalar dataType="xsd:integer" dictRef="g:charge">0</scalar>
                     <scalar dataType="xsd:integer" dictRef="g:mult">1</scalar>
                  </list>
               </list>
            <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3388,-.369,-1.567;-3.6116,2.0957,-.4796;-4.5812,-.2814,2.094;-.5873,2.9139,-1.4953;.5562,2.6782,.4721;-1.9368,.6263,.2911;4.3862,-.811,-.1288;3.6537,-.2848,.9416;5.608,.7287,.9998;-2.2184,-.8215,.3187;-3.6667,-.4358,-.1223;-1.0845,-1.4316,-.5292;-3.1658,1.0255,-.1325;-.1823,-.2358,-.778;-.7431,.8898,-.3172;-4.8715,-.6763,.7518;-1.557,-2.1333,-1.7919;2.2006,-1.5019,-.4144;-5.3015,-2.1405,.7589;3.6624,-1.7518,-.9115;2.3208,-.8381,.9917;-.2047,2.3005,-.4611;5.5844,-.1812,-.0876;4.4012,.6354,1.5965;-2.1727,-1.2016,1.3494;-3.8945,-.7589,-1.1485;-.5576,-2.1631,.0958;-5.711,-.0637,.4026;-.7267,-2.6283,-2.306;-2.3045,-2.8963,-1.5498;-2.0161,-1.4314,-2.4968;1.6475,-2.4447,-.3774;-4.5044,-2.7777,1.1578;-6.1768,-2.2843,1.401;-5.5434,-2.486,-.2508;3.9955,-2.7572,-.6345;3.8145,-1.5921,-1.9818;1.6102,-.0487,1.2366;2.3307,-1.5983,1.7788;-5.3866,-.4201,2.6211;6.41,-.3179,-.7666;4.0685,1.1995,2.4555;</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=64</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">Mem=800Mb</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">Chk=mol</array>
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">#B3LYP/6-31G(d,p) SCF(Conver=8) SCRF=(PCM,Solvent=Water) Opt(Tight) No</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=8,38=5,53=1/2</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=8,38=5,53=1/2</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">remark line goes here</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="45">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</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="45">1 1 2 3 3 4 5 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 11 12 12 12 14 15 16 16 17 17 17 18 18 18 19 19 19 20 20 21 21 23 24</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="45">14 18 13 16 40 22 22 10 13 15 8 20 23 21 24 23 24 11 12 25 13 16 26 14 17 27 15 22 19 28 29 30 31 20 21 32 33 34 35 36 37 38 39 41 42</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="45">1.7187 1.8316 1.2102 1.4289 0.9725 1.2618 1.2619 1.4752 1.3599 1.3654 1.3997 1.4218 1.3543 1.444 1.3544 1.4181 1.3495 1.5623 1.5417 1.0995 1.5448 1.5078 1.0997 1.5185 1.5199 1.097 1.3393 1.5168 1.5261 1.0963 1.0949 1.0952 1.0956 1.5641 1.5595 1.0937 1.0957 1.095 1.0942 1.0948 1.0928 1.09 1.0943 1.0777 1.0802</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="45">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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="84">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</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="84">14 16 10 10 13 8 8 20 7 7 21 23 6 6 6 11 11 12 10 10 10 13 13 16 10 10 10 14 14 17 2 2 6 1 1 12 6 6 14 3 3 3 11 11 19 12 12 12 29 29 30 1 1 1 20 20 21 16 16 16 33 33 34 7 7 7 18 18 36 8 8 8 18 18 38 4 4 5 7 7 9 8 8 9</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="84">1 3 6 6 6 7 7 7 8 8 8 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 23 23 23 24 24 24</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="84">18 40 13 15 15 20 23 23 21 24 24 24 11 12 25 12 25 25 13 16 26 16 26 26 14 17 27 17 27 27 6 11 11 12 15 15 14 22 22 11 19 28 19 28 28 29 30 31 30 31 31 20 21 32 21 32 32 33 34 35 34 35 35 18 36 37 36 37 37 18 38 39 38 39 39 5 15 15 9 41 41 9 42 42</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="84">100.1062 107.5449 96.9738 111.3839 126.4896 113.7858 105.3623 140.7923 111.4402 109.6554 138.8483 106.2493 85.9507 103.7505 110.4193 128.6279 112.8604 110.3762 86.2623 122.5285 112.5133 114.4439 109.8116 109.183 102.4424 114.2654 107.6864 114.3403 109.4571 108.3487 132.9898 135.9702 90.7619 122.6846 126.4161 110.8962 110.9251 122.1452 126.8963 109.763 108.5447 107.4775 112.3887 109.7598 108.7742 111.2891 110.4973 111.6551 107.8431 107.7776 107.6103 109.79 109.8994 108.4538 106.4106 110.2223 112.0483 110.7746 110.7293 111.158 106.9574 108.2484 108.8382 101.2501 108.2698 111.8148 110.5289 114.7091 109.8572 101.7093 109.3935 106.426 117.4248 110.702 110.3283 130.0475 114.9766 114.9759 109.6608 126.8457 123.4901 109.0696 124.7046 126.2253</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="84">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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="133">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</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="133">18 18 14 14 14 40 40 40 13 13 13 15 15 15 10 10 15 15 10 10 13 13 20 20 23 23 8 8 8 23 23 23 8 8 20 20 7 7 7 24 24 24 7 7 21 21 24 24 23 23 6 6 6 12 12 12 25 25 25 6 6 6 11 11 11 25 25 25 10 10 16 16 26 26 10 10 10 13 13 13 26 26 26 10 10 17 17 27 27 10 10 10 14 14 14 27 27 27 1 1 12 12 6 6 14 14 3 3 3 11 11 11 28 28 28 1 1 1 21 21 21 32 32 32 1 1 1 20 20 20 32 32 32</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="133">1 1 1 1 1 3 3 3 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 14 14 14 14 15 15 15 15 16 16 16 16 16 16 16 16 16 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="133">14 14 18 18 18 16 16 16 10 10 10 10 10 10 13 13 13 13 15 15 15 15 8 8 8 8 20 20 20 20 20 20 23 23 23 23 21 21 21 21 21 21 24 24 24 24 23 23 24 24 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 16 16 16 16 16 16 16 16 16 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 15 15 15 15 22 22 22 22 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="133">12 15 20 21 32 11 19 28 11 12 25 11 12 25 2 11 2 11 14 22 14 22 21 24 21 24 18 36 37 18 36 37 9 41 9 41 18 38 39 18 38 39 9 42 9 42 7 41 8 42 13 16 26 13 16 26 13 16 26 14 17 27 14 17 27 14 17 27 2 6 2 6 2 6 3 19 28 3 19 28 3 19 28 1 15 1 15 1 15 29 30 31 29 30 31 29 30 31 6 22 6 22 4 5 4 5 33 34 35 33 34 35 33 34 35 7 36 37 7 36 37 7 36 37 8 38 39 8 38 39 8 38 39</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="133">-60.7077 120.0041 -178.4491 -61.7331 61.0637 178.0331 -58.7766 58.7088 -1.793 127.0336 -114.6988 -135.526 -6.6995 111.5681 -172.6933 1.809 -49.5058 124.9964 2.8493 -179.1184 -114.0115 64.0209 0.1449 -177.6592 177.9327 0.1285 13.9823 -102.2619 136.5772 -162.6419 81.1138 -40.0471 0.1922 -179.1557 176.989 -2.359 -14.2607 -139.1245 101.6828 162.5961 37.7323 -81.4604 -0.4149 179.3448 -177.3082 2.4515 -0.4421 178.9322 0.5152 -179.2399 1.57 -115.1852 111.483 -102.8162 140.4287 7.0968 112.0407 -4.7145 -138.0463 7.427 -116.7972 122.7927 103.3093 -20.9149 -141.325 -110.8703 124.9054 4.4954 172.514 -1.699 -63.2761 122.5109 59.9125 -114.3006 44.3825 -76.5152 162.2976 -57.4449 -178.3426 60.4703 179.0285 58.1308 -63.0563 174.2143 -6.3988 -61.6112 117.7757 60.141 -120.4721 -174.6245 -54.8394 64.8926 67.7742 -172.4407 -52.7087 -54.5842 65.2009 -175.0671 -178.1248 3.9585 2.5165 -175.4002 -87.7006 92.2986 90.001 -89.9998 -60.101 58.3953 179.5049 61.4942 179.9905 -58.8999 -176.7558 -58.2594 62.8501 96.8841 -148.5465 -23.6867 -22.002 92.5673 -142.5728 -143.7059 -29.1365 95.7233 -96.636 22.6779 150.5932 22.1785 141.4924 -90.5923 142.713 -97.9731 29.9422</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="133">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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">42</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 34 out of a maximum of 252</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="120">0.00131 0.00234 0.00309 0.00368 0.00415 0.00491 0.00554 0.00650 0.01036 0.01272 0.01280 0.01567 0.01744 0.01811 0.01973 0.02199 0.02218 0.02329 0.03160 0.03305 0.03805 0.03866 0.04097 0.04307 0.04520 0.04738 0.04986 0.05184 0.05370 0.05516 0.05566 0.05631 0.05645 0.05715 0.05908 0.06157 0.06195 0.06323 0.06539 0.07142 0.07316 0.07512 0.07740 0.08340 0.08390 0.08660 0.08878 0.08979 0.09688 0.12019 0.12383 0.14658 0.15538 0.15797 0.15953 0.16000 0.16002 0.16011 0.16015 0.16047 0.16101 0.16861 0.17928 0.19537 0.19873 0.20694 0.21778 0.23373 0.23681 0.23778 0.24208 0.24906 0.25067 0.25175 0.25446 0.25856 0.26144 0.27236 0.28626 0.29048 0.29808 0.30455 0.31129 0.31242 0.31769 0.32973 0.33270 0.33709 0.33804 0.34010 0.34075 0.34173 0.34189 0.34217 0.34235 0.34256 0.34257 0.34332 0.34351 0.34521 0.34603 0.35889 0.36266 0.36324 0.37797 0.38655 0.40620 0.41089 0.43152 0.44371 0.47899 0.48719 0.49925 0.52906 0.53338 0.60214 0.70678 0.78246 0.78950 0.99653</array>
                  </module>
                  <module cmlx:templateRef="rfo">
                     <list cmlx:templateRef="rfo">
                        <scalar dataType="xsd:double" dictRef="g:lambda">-3.66774524e-12</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.deltas">
                     <list cmlx:templateRef="delta">
                        <array dataType="xsd:string" dictRef="cc:variable" size="262">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 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 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</array>
                        <array dataType="xsd:double" dictRef="g:lastval" size="262">3.34160 3.51999 2.28458 2.70428 1.82728 2.36045 2.38298 2.81829 2.66227 2.67327 2.55867 2.78800 2.52510 2.78134 2.51611 2.52994 2.53582 2.94738 2.93594 2.06376 2.91772 2.88232 2.06760 2.91130 2.90242 2.07066 2.56654 2.89289 2.88882 2.08106 2.06738 2.06935 2.06875 2.92311 2.91541 2.05878 2.06857 2.06977 2.06855 2.06413 2.05916 2.06640 2.06675 2.04017 2.03842 1.78134 1.88092 1.63442 1.92936 2.31217 1.94087 1.86355 2.47605 1.95331 1.86665 2.46099 1.83401 1.54220 1.83210 1.93230 2.18425 1.96407 1.94581 1.50006 2.07948 1.97264 2.05231 1.91349 1.91320 1.75553 2.03226 1.89487 1.96434 1.92950 1.88411 2.30952 2.36720 1.60647 2.14510 2.16359 1.96746 1.89901 2.10099 2.28316 1.86087 1.94846 1.91559 1.96396 1.87029 1.90263 1.92218 1.93681 1.94884 1.88317 1.87837 1.89224 1.89028 1.95555 1.91524 1.81771 1.93892 1.94382 1.93441 1.92707 1.93645 1.88794 1.89555 1.88079 1.76890 1.90221 1.91517 1.95393 1.99925 1.91740 1.76363 1.87680 1.89575 2.00458 1.95295 1.95569 2.25441 2.01055 2.01807 1.92996 2.14464 2.20856 1.93043 2.13987 2.21274 -1.57686 1.70123 -3.07761 -1.08248 1.08632 3.11593 -1.01584 1.09581 -0.00604 2.19398 -1.98731 -2.41963 -0.21961 1.88228 -3.13648 0.00610 -1.00105 2.14153 0.07380 -3.07440 -1.94726 1.18773 0.01780 -3.06744 3.09817 0.01293 0.32584 -1.73686 2.44605 -2.72073 1.49975 -0.60053 -0.00334 -3.13754 3.04574 -0.08846 -0.35350 -2.46040 1.70288 2.70237 0.59547 -1.52444 -0.01821 3.10602 -3.07667 0.04757 -0.00747 3.12640 0.01589 -3.10744 0.00551 -2.07976 1.91888 -1.86573 2.33219 0.04764 1.95661 -0.12866 -2.41320 0.25595 -1.87180 2.28181 1.97943 -0.14832 -2.27790 -1.83697 2.31847 0.18889 3.13680 -0.00584 -1.03591 2.10464 1.16426 -1.97838 0.86286 -1.27887 2.91316 -0.90937 -3.05110 1.14093 -3.10968 1.03177 -1.05938 3.02937 -0.23488 -1.07888 1.94004 1.02951 -2.23475 3.09996 -1.09913 1.01416 1.08623 -3.11287 -0.99958 -1.04800 1.03610 -3.13380 3.12848 -0.00559 0.11106 -3.02300 -1.19716 1.92701 1.93617 -1.22284 -1.04986 1.04182 3.12588 1.04184 3.13351 -1.06561 3.11415 -1.07736 1.00670 1.55967 -2.69854 -0.50070 -0.52447 1.50051 -2.58484 -2.61891 -0.59394 1.60390 -1.50718 0.50668 2.76176 0.53208 2.54594 -1.48216 2.62321 -1.64611 0.60897</array>
                        <array dataType="xsd:double" dictRef="cc:deriv" size="262">-0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -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="262">0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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="262">0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -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 0.00001 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 -0.00001 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 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 0.00001 0.00002 0.00002 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</array>
                        <array dataType="xsd:double" dictRef="cc:delta.total" size="262">0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -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 0.00001 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 -0.00001 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 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 0.00001 0.00002 0.00002 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</array>
                        <array dataType="xsd:double" dictRef="cc:newval" size="262">3.34160 3.51999 2.28458 2.70428 1.82728 2.36045 2.38298 2.81829 2.66227 2.67327 2.55867 2.78800 2.52510 2.78134 2.51611 2.52994 2.53582 2.94738 2.93594 2.06376 2.91772 2.88232 2.06760 2.91130 2.90242 2.07066 2.56654 2.89289 2.88882 2.08106 2.06738 2.06935 2.06875 2.92311 2.91541 2.05878 2.06857 2.06977 2.06855 2.06413 2.05916 2.06640 2.06675 2.04017 2.03842 1.78134 1.88092 1.63442 1.92936 2.31217 1.94087 1.86355 2.47605 1.95331 1.86665 2.46099 1.83401 1.54220 1.83210 1.93230 2.18425 1.96407 1.94581 1.50006 2.07948 1.97264 2.05231 1.91349 1.91320 1.75553 2.03226 1.89487 1.96434 1.92950 1.88411 2.30952 2.36720 1.60647 2.14510 2.16359 1.96746 1.89901 2.10099 2.28316 1.86087 1.94846 1.91559 1.96396 1.87029 1.90263 1.92218 1.93681 1.94884 1.88317 1.87837 1.89224 1.89028 1.95556 1.91524 1.81771 1.93892 1.94382 1.93441 1.92707 1.93645 1.88794 1.89555 1.88079 1.76890 1.90221 1.91517 1.95393 1.99925 1.91740 1.76363 1.87680 1.89575 2.00458 1.95295 1.95569 2.25441 2.01054 2.01807 1.92996 2.14464 2.20856 1.93043 2.13987 2.21274 -1.57686 1.70123 -3.07762 -1.08249 1.08631 3.11594 -1.01583 1.09582 -0.00604 2.19398 -1.98731 -2.41963 -0.21961 1.88228 -3.13648 0.00610 -1.00105 2.14153 0.07380 -3.07441 -1.94726 1.18772 0.01780 -3.06743 3.09817 0.01293 0.32584 -1.73686 2.44605 -2.72073 1.49976 -0.60052 -0.00334 -3.13754 3.04574 -0.08847 -0.35350 -2.46041 1.70288 2.70236 0.59546 -1.52445 -0.01821 3.10602 -3.07666 0.04757 -0.00747 3.12640 0.01589 -3.10744 0.00551 -2.07976 1.91888 -1.86573 2.33219 0.04764 1.95661 -0.12866 -2.41320 0.25595 -1.87180 2.28181 1.97943 -0.14832 -2.27790 -1.83697 2.31847 0.18889 3.13681 -0.00584 -1.03591 2.10464 1.16426 -1.97838 0.86286 -1.27887 2.91316 -0.90937 -3.05110 1.14093 -3.10968 1.03177 -1.05938 3.02937 -0.23489 -1.07888 1.94004 1.02951 -2.23475 3.09996 -1.09913 1.01416 1.08622 -3.11287 -0.99958 -1.04800 1.03610 -3.13380 3.12848 -0.00558 0.11106 -3.02299 -1.19714 1.92703 1.93619 -1.22283 -1.04986 1.04182 3.12588 1.04184 3.13352 -1.06560 3.11415 -1.07736 1.00670 1.55967 -2.69854 -0.50070 -0.52447 1.50050 -2.58484 -2.61892 -0.59394 1.60390 -1.50718 0.50668 2.76176 0.53209 2.54595 -1.48216 2.62322 -1.64611 0.60897</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 0.000057 0.000013</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">-6.844983e-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="45">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</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="45">1 1 2 3 3 4 5 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 11 12 12 12 14 15 16 16 17 17 17 18 18 18 19 19 19 20 20 21 21 23 24</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="45">14 18 13 16 40 22 22 10 13 15 8 20 23 21 24 23 24 11 12 25 13 16 26 14 17 27 15 22 19 28 29 30 31 20 21 32 33 34 35 36 37 38 39 41 42</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="45">1.7683 1.8627 1.2089 1.431 0.967 1.2491 1.261 1.4914 1.4088 1.4146 1.354 1.4753 1.3362 1.4718 1.3315 1.3388 1.3419 1.5597 1.5536 1.0921 1.544 1.5253 1.0941 1.5406 1.5359 1.0957 1.3582 1.5309 1.5287 1.1013 1.094 1.0951 1.0947 1.5468 1.5428 1.0895 1.0946 1.0953 1.0946 1.0923 1.0897 1.0935 1.0937 1.0796 1.0787</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="45">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-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="84">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</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="84">14 16 10 10 13 8 8 20 7 7 21 23 6 6 6 11 11 12 10 10 10 13 13 16 10 10 10 14 14 17 2 2 6 1 1 12 6 6 14 3 3 3 11 11 19 12 12 12 29 29 30 1 1 1 20 20 21 16 16 16 33 33 34 7 7 7 18 18 36 8 8 8 18 18 38 4 4 5 7 7 9 8 8 9</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="84">1 3 6 6 6 7 7 7 8 8 8 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 23 23 23 24 24 24</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="84">18 40 13 15 15 20 23 23 21 24 24 24 11 12 25 12 25 25 13 16 26 16 26 26 14 17 27 17 27 27 6 11 11 12 15 15 14 22 22 11 19 28 19 28 28 29 30 31 30 31 31 20 21 32 21 32 32 33 34 35 34 35 35 18 36 37 36 37 37 18 38 39 38 39 39 5 15 15 9 41 41 9 42 42</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="84">102.0633 107.7687 93.6455 110.5441 132.4775 111.2035 106.7738 141.8673 111.9162 106.9512 141.0042 105.0813 88.3616 104.9718 110.7127 125.1482 112.5331 111.4867 85.947 119.1453 113.024 117.5886 109.6348 109.6183 100.5847 116.4398 108.5681 112.5486 110.552 107.9513 132.3255 135.6306 92.0439 122.9055 123.9647 112.7269 108.8052 120.378 130.8154 106.6199 111.6385 109.7554 112.5268 107.1597 109.0125 110.1329 110.971 111.6602 107.8979 107.6226 108.4173 108.3053 112.045 109.7354 104.1473 111.0917 111.3728 110.8335 110.4131 110.9505 108.1709 108.6069 107.7616 101.3503 108.9888 109.7313 111.9522 114.5487 109.8589 101.0484 107.5325 108.6184 114.8539 111.8958 112.0526 129.1681 115.1958 115.6269 110.5784 122.8787 126.5414 110.6054 122.6057 126.7804</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="84">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-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="132">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</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="132">18 18 14 14 14 40 40 40 13 13 13 15 15 15 10 10 15 15 10 10 13 13 20 20 23 23 8 8 8 23 23 23 8 8 20 20 7 7 7 24 24 24 7 7 21 21 24 24 23 23 6 6 6 12 12 12 25 25 25 6 6 6 11 11 11 25 25 25 10 10 16 16 26 26 10 10 10 13 13 13 26 26 26 10 10 17 17 27 27 10 10 10 14 14 14 27 27 27 1 1 12 12 6 6 14 14 3 3 3 11 11 11 28 28 28 1 1 1 21 21 21 32 32 32 1 1 1 20 20 20 32 32</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="132">1 1 1 1 1 3 3 3 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 14 14 14 14 15 15 15 15 16 16 16 16 16 16 16 16 16 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="132">14 14 18 18 18 16 16 16 10 10 10 10 10 10 13 13 13 13 15 15 15 15 8 8 8 8 20 20 20 20 20 20 23 23 23 23 21 21 21 21 21 21 24 24 24 24 23 23 24 24 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 16 16 16 16 16 16 16 16 16 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 15 15 15 15 22 22 22 22 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="132">12 15 20 21 32 11 19 28 11 12 25 11 12 25 2 11 2 11 14 22 14 22 21 24 21 24 18 36 37 18 36 37 9 41 9 41 18 38 39 18 38 39 9 42 9 42 7 41 8 42 13 16 26 13 16 26 13 16 26 14 17 27 14 17 27 14 17 27 2 6 2 6 2 6 3 19 28 3 19 28 3 19 28 1 15 1 15 1 15 29 30 31 29 30 31 29 30 31 6 22 6 22 4 5 4 5 33 34 35 33 34 35 33 34 35 7 36 37 7 36 37 7 36 37 8 38 39 8 38 39 8 38</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="132">-90.3475 97.4734 -176.3338 -62.0214 62.2414 178.5296 -58.2032 62.7853 -0.3459 125.706 -113.8647 -138.6344 -12.5826 107.8467 -179.7072 0.3495 -57.3559 122.7008 4.2282 -176.1502 -111.5698 68.0517 1.0201 -175.7511 177.5121 0.7409 18.6694 -99.5149 140.1482 -155.8866 85.9292 -34.4078 -0.1911 -179.7678 174.5082 -5.0684 -20.2541 -140.9707 97.5678 154.8343 34.1178 -87.3437 -1.0432 177.9621 -176.28 2.7253 -0.428 179.1295 0.9106 -178.0432 0.3158 -119.1612 109.9438 -106.8983 133.6246 2.7297 112.1056 -7.3714 -138.2664 14.6648 -107.2461 130.7379 113.4127 -8.4982 -130.5142 -105.2507 132.8384 10.8224 179.7256 -0.3344 -59.3531 120.5869 66.7072 -113.3527 49.438 -73.274 166.9119 -52.1032 -174.8153 65.3707 -178.1717 59.1163 -60.6978 173.5704 -13.4579 -61.8154 111.1563 58.9866 -128.0417 177.6147 -62.9754 58.1071 62.2361 -178.354 -57.2715 -60.0458 59.364 -179.5534 179.2485 -0.3201 6.3635 -173.2051 -68.592 110.4096 110.9346 -70.0638 -60.1525 59.6917 179.0999 59.6929 179.5372 -61.0547 178.4275 -61.7282 57.6799 89.3625 -154.6149 -28.6879 -30.0499 85.9726 -148.1004 -150.0527 -34.0301 91.8969 -86.3553 29.0304 158.2369 30.4861 145.8718 -84.9217 150.299 -94.3154</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="132">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-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="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.3388" y3="-0.3690" z3="-1.5670">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.6116" y3="2.0957" z3="-0.4796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.5812" y3="-0.2814" z3="2.0940">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.5873" y3="2.9139" z3="-1.4953">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="0.5562" y3="2.6782" z3="0.4721">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.9368" y3="0.6263" z3="0.2911">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.3862" y3="-0.8110" z3="-0.1288">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.6537" y3="-0.2848" z3="0.9416">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.6080" y3="0.7287" z3="0.9998">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.2184" y3="-0.8215" z3="0.3187">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.6667" y3="-0.4358" z3="-0.1223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.0845" y3="-1.4316" z3="-0.5292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.1658" y3="1.0255" z3="-0.1325">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.1823" y3="-0.2358" z3="-0.7780">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.7431" y3="0.8898" z3="-0.3172">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.8715" y3="-0.6763" z3="0.7518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.5570" y3="-2.1333" z3="-1.7919">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.2006" y3="-1.5019" z3="-0.4144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.3015" y3="-2.1405" z3="0.7589">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.6624" y3="-1.7518" z3="-0.9115">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.3208" y3="-0.8381" z3="0.9917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-0.2047" y3="2.3005" z3="-0.4611">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.5844" y3="-0.1812" z3="-0.0876">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.4012" y3="0.6354" z3="1.5965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.1727" y3="-1.2016" z3="1.3494">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.8945" y3="-0.7589" z3="-1.1485">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-0.5576" y3="-2.1631" z3="0.0958">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.7110" y3="-0.0637" z3="0.4026">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-0.7267" y3="-2.6283" z3="-2.3060">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.3045" y3="-2.8963" z3="-1.5498">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.0161" y3="-1.4314" z3="-2.4968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.6475" y3="-2.4447" z3="-0.3774">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.5044" y3="-2.7777" z3="1.1578">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.1768" y3="-2.2843" z3="1.4010">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.5434" y3="-2.4860" z3="-0.2508">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="3.9955" y3="-2.7572" z3="-0.6345">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.8145" y3="-1.5921" z3="-1.9818">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.6102" y3="-0.0487" z3="1.2366">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.3307" y3="-1.5983" z3="1.7788">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.3866" y3="-0.4201" z3="2.6211">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.4100" y3="-0.3179" z3="-0.7666">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="4.0685" y3="1.1995" z3="2.4555">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3388,-.369,-1.567;-3.6116,2.0957,-.4796;-4.5812,-.2814,2.094;-.5873,2.9139,-1.4953;.5562,2.6782,.4721;-1.9368,.6263,.2911;4.3862,-.811,-.1288;3.6537,-.2848,.9416;5.608,.7287,.9998;-2.2184,-.8215,.3187;-3.6667,-.4358,-.1223;-1.0845,-1.4316,-.5292;-3.1658,1.0255,-.1325;-.1823,-.2358,-.778;-.7431,.8898,-.3172;-4.8715,-.6763,.7518;-1.557,-2.1333,-1.7919;2.2006,-1.5019,-.4144;-5.3015,-2.1405,.7589;3.6624,-1.7518,-.9115;2.3208,-.8381,.9917;-.2047,2.3005,-.4611;5.5844,-.1812,-.0876;4.4012,.6354,1.5965;-2.1727,-1.2016,1.3494;-3.8945,-.7589,-1.1485;-.5576,-2.1631,.0958;-5.711,-.0637,.4026;-.7267,-2.6283,-2.306;-2.3045,-2.8963,-1.5498;-2.0161,-1.4314,-2.4968;1.6475,-2.4447,-.3774;-4.5044,-2.7777,1.1578;-6.1768,-2.2843,1.401;-5.5434,-2.486,-.2508;3.9955,-2.7572,-.6345;3.8145,-1.5921,-1.9818;1.6102,-.0487,1.2366;2.3307,-1.5983,1.7788;-5.3866,-.4201,2.6211;6.41,-.3179,-.7666;4.0685,1.1995,2.4555;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.635925 0.000000 6.961106 3.635127 0.000000 3.806893 3.293553 6.248540 0.000000 3.749109 4.314579 6.146761 2.287752 0.000000 3.895217 2.357556 3.326743 3.200858 3.233899 0.000000 3.398592 8.516852 9.253949 6.362225 5.215793 6.497882 0.000000 3.414517 7.776321 8.315144 5.844334 4.312111 5.701486 1.399714 0.000000 5.100929 9.437073 10.297445 7.027259 5.440561 7.578704 2.266541 2.202239 0.000000 4.051456 3.329917 3.004367 4.461423 4.468762 1.475190 6.619751 5.929385 8.007469 0.000000 5.210245 2.557184 2.402527 4.752717 5.280454 2.071596 8.061639 7.398847 9.414628 1.562312 0.000000 2.842276 4.339417 4.520072 4.479278 4.537064 2.373660 5.520328 5.092047 7.196825 1.541715 2.797310 0.000000 4.928878 1.210183 2.944257 3.474470 4.117067 1.359867 7.772094 7.026817 8.851540 2.124278 1.544799 3.244460 0.000000 1.718723 4.157527 5.253645 3.255634 3.255692 2.228107 4.650108 4.204084 6.133385 2.385686 3.551195 1.518487 3.302850 0.000000 2.735121 3.115904 4.681518 2.347163 2.347243 1.365423 5.407211 4.721876 6.488213 2.347217 3.215997 2.355928 2.433517 1.339331 0.000000 6.636196 3.284460 1.428888 6.024397 6.386770 3.243682 9.300463 8.536295 10.576174 2.692136 1.507791 4.068514 2.566617 4.952063 4.543029 0.000000 3.398381 4.881388 5.260755 5.148060 5.722049 3.478294 6.311577 6.167687 8.204990 2.571556 3.181180 1.519885 3.914060 2.553096 3.460680 4.424835 0.000000 1.831570 6.835835 7.333110 5.332919 4.578555 4.705852 2.309926 2.330572 4.311138 4.530777 5.970519 3.287857 5.938473 2.722761 3.794080 7.215001 4.051633 0.000000 7.255454 4.725996 2.399495 7.269942 7.590440 4.381236 9.818712 9.147273 11.283064 3.382165 2.520930 4.465963 3.921653 5.674165 5.578505 1.526051 4.530774 7.620102 0.000000 2.782253 8.240198 8.896744 6.337944 5.584597 6.201020 1.421833 2.363503 3.686639 6.079692 7.488017 4.773022 7.412459 4.134948 5.171042 8.760749 5.306862 1.564103 9.126490 0.000000 2.780526 6.779770 7.011604 5.359078 3.968396 4.556585 2.349922 1.444048 3.641512 4.588850 6.103523 3.776433 5.902509 3.124118 3.753177 7.198119 4.946039 1.559550 7.736272 2.501381 0.000000 3.275918 3.413100 5.687574 1.261829 1.261938 2.523672 5.555917 4.851659 6.196149 3.796045 4.425784 3.835004 3.240635 2.556119 1.516791 5.666700 4.822689 4.499544 6.869371 5.619471 4.282475 0.000000 4.499890 9.481791 10.397540 7.046357 5.811388 7.573897 1.354263 2.190340 1.418067 7.839563 9.254668 6.799466 8.833127 5.808138 6.421605 10.501217 7.597034 3.647074 11.093162 2.615278 3.499642 6.309676 0.000000 4.516065 8.405215 9.042762 6.295707 4.496814 6.471043 2.251435 1.354407 1.349490 6.897422 8.318218 6.235703 7.771815 5.235047 5.494615 9.403034 7.392368 3.668025 10.126677 3.540426 2.620124 5.312306 2.214270 0.000000 4.639962 4.035822 2.683667 5.248157 4.823836 2.125292 6.734747 5.912171 8.024187 1.099503 2.232574 2.183167 2.853463 3.069250 3.032370 2.813643 3.333904 4.725137 3.319580 6.281941 4.522347 4.406318 7.954796 6.830211 0.000000 5.264465 2.945539 3.348637 4.954523 5.852242 2.797109 8.343410 7.846567 9.855235 2.228431 1.099715 2.955022 2.178840 3.767139 3.652478 2.138339 2.786906 6.183947 2.743473 7.625533 6.573940 4.842218 9.555563 8.848601 3.065955 0.000000 3.095163 5.272132 4.870622 5.320565 4.982001 3.117866 5.130281 4.688116 6.869814 2.146586 3.563374 1.096969 4.125772 2.149154 3.086289 4.609842 2.136141 2.881867 4.790073 4.358007 3.292939 4.512028 6.456448 5.888412 2.259324 3.828180 0.000000 7.326132 3.138274 2.045648 6.222574 6.841099 3.838374 10.138752 9.382804 11.362408 3.574850 2.143161 4.913645 2.819704 5.655967 5.109531 1.096348 5.133692 8.082656 2.146564 9.614425 8.090522 6.054317 11.306642 10.206406 3.835468 2.487747 5.573073 0.000000 3.149103 5.828770 6.302786 5.602914 6.125571 4.336092 5.846753 5.935217 7.894694 3.518344 4.268396 2.171895 4.901384 2.890538 4.041364 5.508159 1.094862 3.662788 5.528142 4.687972 4.833932 5.288592 7.123172 7.223337 4.181906 3.856089 2.452274 6.225507 0.000000 4.434092 5.270095 5.029746 6.058892 6.583824 3.991595 7.150747 6.966143 9.069109 2.793475 3.153951 2.162260 4.258062 3.489652 4.276894 4.100640 1.095234 4.850712 3.857893 6.109108 5.664699 5.709742 8.470215 8.206005 3.360765 2.693997 2.509430 4.841460 1.770061 0.000000 3.639859 4.365221 5.383092 4.682532 5.685060 3.465949 6.854325 6.729333 8.661359 2.887896 3.058423 2.177000 3.598344 2.783263 3.429162 4.390545 1.095591 4.703394 4.679344 5.904337 5.597351 4.620857 8.070616 7.887237 3.856240 2.408019 3.063361 4.891770 1.769612 1.768026 0.000000 2.412255 6.948655 7.041618 5.912582 5.306288 4.767089 3.198633 3.229515 5.258584 4.250237 5.686957 2.917746 5.938865 2.896185 4.103350 6.848335 3.516618 1.093691 7.047859 2.196633 2.215611 5.094563 4.550450 4.578882 4.372764 5.843824 2.272814 7.773357 3.064316 4.146899 4.352080 0.000000 6.882540 5.218065 2.667186 7.401143 7.473065 4.350972 9.195978 8.533223 10.704225 3.123556 2.797301 4.043967 4.233327 5.374861 5.456515 2.171516 4.219378 7.004035 1.095679 8.487113 7.097393 6.848093 10.491745 9.547325 2.820927 3.125148 4.133135 3.064638 5.127499 3.490662 4.621716 6.349299 0.000000 8.304315 5.413068 2.652885 8.164089 8.415613 5.261280 10.774408 10.042299 12.170482 4.356614 3.469582 5.512195 4.729960 6.699136 6.523206 2.170468 5.617826 8.607477 1.095044 10.121318 8.629497 7.755887 12.040132 10.975288 4.148219 3.746423 5.770065 2.478878 6.600286 4.906778 5.764695 8.025466 1.760543 0.000000 7.319751 4.977567 3.359193 7.434422 8.024753 4.794542 10.070624 9.531723 11.672704 3.761717 2.782415 4.590322 4.242359 5.838042 5.868843 2.175240 4.288446 7.807993 1.094249 9.258635 8.130500 7.173320 11.365152 10.585401 3.946130 2.551002 5.008253 2.514470 5.238768 3.513719 4.312603 7.192133 1.774476 1.780540 0.000000 3.692033 9.024556 9.334564 7.341962 6.526632 6.891806 2.048432 2.951894 4.174038 6.577848 8.022503 5.251162 8.114496 4.881809 5.987956 9.212799 5.706057 2.201338 9.421045 1.094767 3.021935 6.576631 3.075627 4.080648 6.663516 8.155336 4.649410 10.126533 5.010958 6.367662 6.431582 2.382616 8.686833 10.384728 9.550465 0.000000 2.792333 8.426354 9.424323 6.317955 5.905388 6.569994 2.090590 3.206424 4.182427 6.502462 7.795070 5.112339 7.680907 4.388974 5.449994 9.151932 5.402034 2.251567 9.534864 1.092786 3.411943 5.798175 2.951471 4.255609 6.862649 7.798544 4.874189 9.937632 4.669188 6.271341 5.855506 2.827882 8.970331 10.571119 9.558541 1.790373 0.000000 2.834859 5.900084 6.254816 4.590129 3.021814 3.732399 3.186157 2.078139 4.079562 4.012224 5.462795 3.505976 5.083160 2.703086 2.972053 6.530034 4.852682 2.277315 7.237087 3.424384 1.089991 3.419764 4.191101 2.896067 3.956291 6.041093 3.235965 7.368565 4.966433 5.585493 5.385182 2.889153 6.696416 8.103228 7.702388 4.065297 4.195131 0.000000 3.699922 7.352342 7.043290 6.292408 4.810901 5.037227 2.912707 2.043652 4.094199 4.840415 6.397999 4.125317 6.383487 3.835206 4.475724 7.333246 5.305689 2.199169 7.719110 3.005778 1.094316 5.161981 4.009761 3.051167 4.541186 6.930137 3.390246 8.301678 5.205208 5.852304 6.099449 2.415027 6.963851 8.543470 8.179776 3.152559 4.042748 1.792864 0.000000 7.922992 4.369693 0.972492 7.147978 7.038078 4.292432 10.159841 9.195980 11.172716 3.936961 3.237985 5.427300 3.821521 6.218729 5.649030 1.955824 6.088962 8.243188 2.536692 9.804952 7.888833 6.614659 11.302963 9.897723 3.543602 4.068296 5.721401 2.270242 7.132120 5.746940 6.210950 7.910030 2.911666 2.363959 3.541234 10.202194 10.354734 7.142128 7.852028 0.000000 5.134230 10.312143 11.357414 7.741947 6.691634 8.466364 2.178463 3.242874 2.204256 8.710957 10.097965 7.580516 9.690343 6.592821 7.268242 11.388864 8.235290 4.386907 11.950241 3.102639 4.481493 7.120646 1.077656 3.244734 8.883756 10.321000 7.259197 12.179913 7.657688 9.121626 8.673675 5.230312 11.352447 12.922568 12.159378 3.434741 3.136386 5.208009 4.975859 12.273823 0.000000 5.108029 8.270545 8.782998 6.342276 4.296124 6.409120 3.289628 2.160347 2.170432 6.940855 8.315803 6.510340 7.685253 5.530362 5.561949 9.292191 7.797064 4.361529 10.091132 4.495751 3.057610 5.289517 3.266748 1.080175 6.778002 8.957316 6.186765 10.072174 7.766459 8.569314 8.274616 5.212174 9.539222 10.872672 10.644040 5.020847 5.248541 3.014458 3.362374 9.594240 4.262283 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4551431 0.1223309 0.1129013</array>
                  </module>
               </module>
               <module cmlx:templateRef="l601.popanal" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="g:alphaocc" size="87">-14.50060 -14.48988 -14.38853 -14.36617 -10.32476 -10.31928 -10.29398 -10.28308 -10.27226 -10.26443 -10.25910 -10.24317 -10.22913 -10.22168 -10.20617 -10.20338 -10.19850 -10.17727 -10.17621 -7.95194 -5.91722 -5.91332 -5.90670 -1.15169 -1.05783 -1.02058 -1.00393 -0.98882 -0.97084 -0.93963 -0.91401 -0.85889 -0.82960 -0.80238 -0.77508 -0.76331 -0.74874 -0.69899 -0.69746 -0.68029 -0.65908 -0.64179 -0.60891 -0.60655 -0.57956 -0.56782 -0.56681 -0.55563 -0.53047 -0.51175 -0.49796 -0.49137 -0.48591 -0.48569 -0.48190 -0.47649 -0.46371 -0.45102 -0.44658 -0.43605 -0.43000 -0.42424 -0.41494 -0.41046 -0.39991 -0.39873 -0.39107 -0.38315 -0.38011 -0.37526 -0.36455 -0.36089 -0.35263 -0.34405 -0.33942 -0.33718 -0.33455 -0.32856 -0.31916 -0.30640 -0.27577 -0.26307 -0.25254 -0.22895 -0.22784 -0.21649 -0.19684</array>
                  <array dataType="xsd:double" dictRef="g:alphavirt" size="362">-0.07647 -0.02088 -0.01039 0.01649 0.03820 0.04788 0.06519 0.06927 0.07273 0.08297 0.08663 0.09955 0.10513 0.11379 0.11645 0.12091 0.13123 0.13766 0.14370 0.14594 0.15361 0.15560 0.15683 0.15908 0.16754 0.16960 0.17508 0.18327 0.18763 0.19215 0.20500 0.21172 0.21916 0.23032 0.23517 0.24249 0.25300 0.26112 0.26916 0.28199 0.28839 0.29031 0.30349 0.33153 0.33589 0.34601 0.35754 0.36527 0.36926 0.38707 0.41081 0.42835 0.43940 0.44798 0.45491 0.47078 0.47821 0.49396 0.50118 0.51040 0.51683 0.51940 0.53163 0.53450 0.53761 0.54982 0.55686 0.56195 0.57231 0.57921 0.58586 0.59355 0.59558 0.59840 0.60994 0.61502 0.62770 0.63212 0.64320 0.65371 0.66423 0.66706 0.68324 0.68537 0.68934 0.69742 0.71159 0.71778 0.73097 0.73378 0.73989 0.74529 0.74774 0.75058 0.76538 0.77542 0.78062 0.78329 0.78669 0.79415 0.80127 0.81054 0.81781 0.82455 0.83843 0.84055 0.84320 0.85124 0.85638 0.85732 0.86634 0.87044 0.87569 0.88160 0.88498 0.88850 0.90044 0.90617 0.91196 0.91486 0.92115 0.92720 0.93908 0.94033 0.94238 0.95259 0.96214 0.98066 0.98205 0.99201 0.99606 1.00869 1.01839 1.02486 1.03077 1.03780 1.04508 1.05301 1.06889 1.08039 1.09261 1.12655 1.12879 1.13960 1.14866 1.15997 1.16517 1.18559 1.19496 1.20472 1.23033 1.24262 1.26430 1.27698 1.28758 1.30461 1.33134 1.34425 1.35033 1.36030 1.36855 1.38154 1.39679 1.42646 1.44555 1.46271 1.47285 1.48485 1.49401 1.49963 1.51564 1.53965 1.55683 1.57745 1.59385 1.60196 1.63267 1.63963 1.64376 1.65764 1.66896 1.67904 1.68435 1.69039 1.71031 1.72311 1.72481 1.73935 1.74285 1.75169 1.75660 1.76782 1.77544 1.78412 1.79461 1.80514 1.80631 1.81815 1.83329 1.83509 1.84316 1.85804 1.86831 1.87188 1.87778 1.88216 1.88710 1.89559 1.90923 1.92145 1.92638 1.93858 1.95032 1.96526 1.97895 1.99054 1.99431 2.01043 2.01535 2.02032 2.02240 2.03156 2.03783 2.05070 2.05411 2.05790 2.06174 2.06885 2.07414 2.09307 2.09862 2.10368 2.11387 2.11690 2.12162 2.12257 2.12639 2.13843 2.14224 2.15166 2.15865 2.19068 2.19381 2.19963 2.20951 2.22907 2.25688 2.27517 2.28176 2.30648 2.31164 2.32052 2.32603 2.34327 2.35357 2.36123 2.36708 2.39490 2.40839 2.41916 2.42286 2.43905 2.44440 2.44653 2.45050 2.47802 2.48153 2.49182 2.50395 2.51627 2.54645 2.54901 2.55591 2.55943 2.57695 2.59418 2.61734 2.61941 2.62373 2.64962 2.65126 2.66392 2.67360 2.69278 2.69663 2.70302 2.71572 2.72797 2.73896 2.75086 2.75965 2.76760 2.77818 2.80235 2.80317 2.80930 2.82037 2.82547 2.83212 2.84175 2.84611 2.86760 2.87516 2.88724 2.90052 2.91026 2.91806 2.92183 2.94100 2.96221 2.97340 2.98712 2.99556 3.02377 3.03697 3.07743 3.11502 3.14764 3.20188 3.21181 3.22076 3.22535 3.22988 3.25279 3.31783 3.32619 3.34412 3.40367 3.41214 3.42409 3.44467 3.44980 3.46346 3.46742 3.47200 3.49392 3.50936 3.51791 3.75501 3.92760 3.93587 3.96106 3.99384 4.00603 4.17819 4.21155 4.24689 4.27084 4.30135 4.32716 4.34948 4.38888 4.41566 4.43411 4.56412 4.61056 4.62426 4.63604 4.65978 4.69942 4.77758 4.97999</array>
                  <list cmlx:templateRef="multipole" dictRef="cc:multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">14.2182 -22.3952 4.7605</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">26.9512</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-70.0621 -175.6769 -142.3258</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-1.6610 -10.1699 11.3688</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">59.2928 -46.3220 -12.9708 -1.6610 -10.1699 11.3688</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">160.1987 -106.5853 75.0767 56.1439 -163.7706 13.6917 24.1668 -8.0131 40.0175 5.6658</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-7333.9536 -2260.4193 -1058.0286 -231.4090 -689.6798 -81.5252 66.7716 62.5123 4.3777 -1923.5814 -1488.7347 -554.3265 34.1916 -34.2137 11.7862</array>
                  </list>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.341129" y3="-0.492328" z3="-1.501493">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.625218" y3="2.131938" z3="-0.402608">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.626122" y3="-0.331811" z3="2.057525">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.352242" y3="2.905091" z3="-1.305177">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="0.672611" y3="2.509092" z3="0.684931">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.959668" y3="0.605176" z3="0.344505">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.478127" y3="-0.74169" z3="-0.126442">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.783454" y3="-0.180026" z3="0.898239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.733639" y3="0.861499" z3="0.739748">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.321377" y3="-0.841434" z3="0.32671">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.75304" y3="-0.412412" z3="-0.148358">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.198632" y3="-1.49592" z3="-0.530833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.203274" y3="1.037699" z3="-0.097991">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.208941" y3="-0.326702" z3="-0.711399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.704822" y3="0.838114" z3="-0.224399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.967031" y3="-0.700378" z3="0.713258">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.665983" y3="-2.136517" z3="-1.844744">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.263548" y3="-1.526886" z3="-0.273802">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.419258" y3="-2.163936" z3="0.648665">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.710719" y3="-1.781275" z3="-0.788965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.453402" y3="-0.771689" z3="1.068355">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-0.072123" y3="2.22577" z3="-0.2876">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.647042" y3="-0.103339" z3="-0.206905">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.566221" y3="0.783736" z3="1.389055">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.330315" y3="-1.253774" z3="1.339965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.972986" y3="-0.692712" z3="-1.184383">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-0.738546" y3="-2.282869" z3="0.07951">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.788691" y3="-0.057437" z3="0.36572">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-0.844404" y3="-2.653598" z3="-2.349446">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.457047" y3="-2.871002" z3="-1.659002">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.060432" y3="-1.386177" z3="-2.538237">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.737371" y3="-2.470665" z3="-0.135379">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.626119" y3="-2.824468" z3="1.015187">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.300091" y3="-2.324055" z3="1.279636">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.671242" y3="-2.463171" z3="-0.373974">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.071195" y3="-2.759693" z3="-0.45834">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.810006" y3="-1.699865" z3="-1.871646">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.720358" y3="0.01339" z3="1.256133">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.490019" y3="-1.467855" z3="1.913165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.414402" y3="-0.465412" z3="2.601389">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.41963" y3="-0.314345" z3="-0.929037">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="4.266037" y3="1.411135" z3="2.214668">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3411,-.4923,-1.5015;-3.6252,2.1319,-.4026;-4.6261,-.3318,2.0575;-.3522,2.9051,-1.3052;.6726,2.5091,.6849;-1.9597,.6052,.3445;4.4781,-.7417,-.1264;3.7835,-.18,.8982;5.7336,.8615,.7397;-2.3214,-.8414,.3267;-3.753,-.4124,-.1484;-1.1986,-1.4959,-.5308;-3.2033,1.0377,-.098;-.2089,-.3267,-.7114;-.7048,.8381,-.2244;-4.967,-.7004,.7133;-1.666,-2.1365,-1.8447;2.2635,-1.5269,-.2738;-5.4193,-2.1639,.6487;3.7107,-1.7813,-.789;2.4534,-.7717,1.0684;-.0721,2.2258,-.2876;5.647,-.1033,-.2069;4.5662,.7837,1.3891;-2.3303,-1.2538,1.34;-3.973,-.6927,-1.1844;-.7385,-2.2829,.0795;-5.7887,-.0574,.3657;-.8444,-2.6536,-2.3494;-2.457,-2.871,-1.659;-2.0604,-1.3862,-2.5382;1.7374,-2.4707,-.1354;-4.6261,-2.8245,1.0152;-6.3001,-2.3241,1.2796;-5.6712,-2.4632,-.374;4.0712,-2.7597,-.4583;3.81,-1.6999,-1.8716;1.7204,.0134,1.2561;2.49,-1.4679,1.9132;-5.4144,-.4654,2.6014;6.4196,-.3143,-.929;4.266,1.4111,2.2147;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.723541 0.000000 6.949853 3.622722 0.000000 3.801118 3.482064 6.328613 0.000000 3.773047 4.449306 6.166954 2.273250 0.000000 3.937954 2.379755 3.304899 3.254977 3.266448 0.000000 3.434196 8.602221 9.371503 6.166108 5.070292 6.594016 0.000000 3.438197 7.869295 8.490463 5.610434 4.117548 5.822939 1.359414 0.000000 5.113722 9.513528 10.511193 6.737651 5.322741 7.707717 2.212874 2.216555 0.000000 4.108303 3.327588 2.926992 4.536187 4.507584 1.491251 6.815318 6.167096 8.243414 0.000000 5.271425 2.560214 2.373749 4.889732 5.368049 2.120043 8.237780 7.612366 9.612943 1.568250 0.000000 2.898234 4.366476 4.449993 4.548063 4.584730 2.399999 5.740905 5.347430 7.431567 1.557013 2.800942 0.000000 4.996238 1.211687 2.923406 3.615637 4.219059 1.389041 7.884857 7.161683 8.977822 2.118786 1.551645 3.259627 0.000000 1.747683 4.220333 5.213296 3.289011 3.281555 2.246859 4.741624 4.307165 6.231526 2.409358 3.589568 1.542453 3.347221 0.000000 2.754443 3.199133 4.685349 2.358980 2.348696 1.397338 5.419256 4.737251 6.510292 2.395381 3.295639 2.405299 2.509598 1.356415 0.000000 6.688893 3.326805 1.434961 6.194333 6.488996 3.299194 9.482500 8.767895 10.814088 2.677461 1.516272 4.047404 2.605739 4.980833 4.627374 0.000000 3.444401 4.913050 5.219875 5.237830 5.783594 3.520788 6.530559 6.406886 8.391788 2.611895 3.194695 1.534648 3.935741 2.585125 3.521048 4.416196 0.000000 1.851592 6.934057 7.370945 5.248667 4.442900 4.771116 2.354275 2.344745 4.332805 4.674612 6.120222 3.471845 6.041039 2.783008 3.795640 7.344295 4.275596 0.000000 7.288366 4.772660 2.443488 7.428807 7.677850 4.441763 10.029049 9.417437 11.556326 3.383716 2.545459 4.432962 3.964662 5.689693 5.656895 1.533194 4.506098 7.764167 0.000000 2.789988 8.323369 8.927842 6.223837 5.459827 6.255653 1.452098 2.327219 3.662434 6.205982 7.615239 4.924407 7.498490 4.181571 5.164971 8.872900 5.490882 1.557052 9.250389 0.000000 2.814128 6.895245 7.161816 5.198461 3.752566 4.679199 2.351160 1.465621 3.679027 4.832537 6.334777 4.052069 6.052457 3.233205 3.773202 7.429267 5.226685 1.551694 8.005828 2.459624 0.000000 3.295280 3.556194 5.725359 1.255152 1.257265 2.566848 5.434756 4.696759 6.051740 3.852824 4.530844 3.896044 3.354336 2.591030 1.526398 5.790007 4.898432 4.420178 6.981258 5.533323 4.147487 0.000000 4.513110 9.539894 10.522250 6.800608 5.689036 7.659510 1.334290 2.167990 1.354460 8.020302 9.405345 6.993387 8.924233 5.881917 6.421278 10.670600 7.765093 3.671375 11.288980 2.627473 3.503187 6.175768 0.000000 4.514956 8.492784 9.283882 5.995858 4.316578 6.611369 2.152072 1.335088 1.338100 7.156030 8.544268 6.489710 7.914598 5.333588 5.512720 9.671721 7.604321 3.661471 10.437756 3.472022 2.643142 5.138567 2.121830 0.000000 4.704591 4.021986 2.575974 5.310903 4.858579 2.141031 6.983370 6.223040 8.358349 1.093979 2.224217 2.199824 2.842644 3.093183 3.076598 2.766095 3.370897 4.876720 3.293610 6.426872 4.815612 4.455964 8.206980 7.191388 0.000000 5.327337 2.951400 3.326680 5.105738 5.943690 2.841735 8.517215 8.047516 10.016807 2.243508 1.095578 2.961302 2.183352 3.811260 3.734420 2.142248 2.800520 6.357621 2.759759 7.770498 6.810251 4.953633 9.687505 9.039941 3.063574 0.000000 3.167121 5.296775 4.778328 5.383448 5.031977 3.146771 5.443466 5.053786 7.225797 2.155040 3.554956 1.097035 4.139150 2.175456 3.135926 4.559166 2.141101 3.115912 4.716689 4.560899 3.667426 4.572386 6.753379 6.265742 2.276293 3.819375 0.000000 7.383085 3.172429 2.071003 6.412757 6.959698 3.885991 10.301358 9.587731 11.564966 3.555058 2.129356 4.893024 2.845827 5.689139 5.195766 1.099673 5.119126 8.210166 2.157284 9.723358 8.302768 6.190235 11.450153 10.439301 3.786917 2.470461 5.526159 0.000000 3.188521 5.867235 6.254077 5.677301 6.177552 4.372733 6.076716 6.171150 8.072774 3.553477 4.281106 2.184731 4.925342 2.915725 4.089909 5.494659 1.094115 3.903478 5.491605 4.893382 5.108667 5.353117 7.296107 7.420682 4.216538 3.871752 2.459364 6.209521 0.000000 4.484310 5.288909 4.996494 6.157812 6.650879 4.042925 7.414806 7.261177 9.315197 2.842641 3.163275 2.178813 4.274524 3.524967 4.345793 4.079123 1.095331 5.099945 3.820990 6.323432 5.996507 5.791864 8.685897 8.483752 3.409588 2.695975 2.514273 4.807858 1.767652 0.000000 3.666663 4.403021 5.368005 4.780515 5.747300 3.505116 6.998919 6.885867 8.748987 2.927927 3.086205 2.187330 3.624370 2.808530 3.484105 4.414845 1.095232 4.883059 4.694994 6.043362 5.810318 4.697329 8.153891 8.002791 3.889835 2.443701 3.066600 4.909015 1.766556 1.770611 0.000000 2.436615 7.071968 7.062405 5.885037 5.157965 4.833135 3.240552 3.240656 5.276298 4.397881 5.863548 3.118754 6.059703 2.952374 4.113423 6.985922 3.823141 1.089377 7.205980 2.190099 2.201862 5.035270 4.571092 4.573556 4.494834 6.072042 2.492310 7.919368 3.406042 4.480495 4.623110 0.000000 6.883357 5.251467 2.701816 7.515182 7.525456 4.395706 9.408963 8.816330 10.999401 3.117413 2.816757 3.987842 4.263800 5.360168 5.507055 2.172359 4.173115 7.128304 1.095314 8.593374 7.371319 6.923947 10.697472 9.882208 2.800586 3.131944 4.035102 3.070805 5.064713 3.443592 4.612836 6.476340 0.000000 8.335355 5.462670 2.715939 8.330794 8.504797 5.319223 10.984121 10.316018 12.459932 4.351597 3.490131 5.476175 4.773837 6.712358 6.600642 2.175813 5.592127 8.739826 1.095276 10.236700 8.892588 7.870497 12.242360 11.302525 4.111967 3.761394 5.689708 2.496864 6.560743 4.868648 5.781910 8.162387 1.767068 0.000000 7.370812 5.030115 3.398111 7.614272 8.129524 4.868957 10.297304 9.809310 11.931686 3.787160 2.817093 4.578692 4.292216 5.874954 5.965416 2.187562 4.279249 7.990466 1.094910 9.415858 8.423257 7.303681 11.562884 10.883764 3.944873 2.583672 4.956778 2.519622 5.218919 3.485495 4.345331 7.412458 1.775552 1.774607 0.000000 3.698970 9.119536 9.373767 7.236968 6.373189 6.952569 2.085207 2.928786 4.160789 6.720193 8.174624 5.419728 8.213887 4.929813 5.984085 9.343604 5.935122 2.195782 9.573353 1.093874 2.983323 6.484680 3.098828 4.026637 6.817699 8.337169 4.863152 10.256638 5.267889 6.638668 6.618864 2.373726 8.821493 10.524918 9.747313 0.000000 2.773177 8.492546 9.406286 6.233042 5.839062 6.596490 2.100053 3.159569 4.132835 6.569896 7.863010 5.189010 7.734740 4.402691 5.434926 9.204188 5.493436 2.230373 9.578447 1.090268 3.368308 5.743756 2.948722 4.168010 6.943845 7.877921 4.983596 9.991915 4.775085 6.379085 5.916484 2.811507 8.987032 10.608216 9.629108 1.785747 0.000000 2.829146 5.984551 6.406185 4.383824 2.766328 3.837170 3.175996 2.102823 4.134292 4.234404 5.666744 3.740557 5.208168 2.776516 2.958655 6.747247 5.069995 2.237902 7.488918 3.371169 1.090396 3.238938 4.192011 2.951277 4.245077 6.234489 3.564191 7.561989 5.166336 5.853925 5.536280 2.847301 6.956240 8.354149 7.964066 4.019433 4.133385 0.000000 3.732491 7.464411 7.207697 6.128526 4.541766 5.153433 2.939368 2.088433 4.162195 5.104780 6.658801 4.424936 6.537289 3.933822 4.482598 7.591864 5.642814 2.199454 8.039911 2.981585 1.095304 5.005078 4.040222 3.107244 4.859013 7.208750 3.801338 8.539374 5.540237 6.261203 6.366181 2.401800 7.299739 8.854405 8.533923 3.129377 4.015096 1.793922 0.000000 7.903895 4.355617 0.966966 7.228209 7.040754 4.263199 10.265453 9.358565 11.380037 3.857766 3.213104 5.352147 3.799353 6.171760 5.644857 1.954581 6.050731 8.267065 2.588076 9.823127 8.021617 6.642940 11.418107 10.131287 3.424077 4.057267 5.614860 2.303205 7.084053 5.716970 6.205858 7.915731 2.950013 2.446637 3.593020 10.227522 10.325775 7.276247 7.997401 0.000000 5.113761 10.351831 11.442399 7.507629 6.603401 8.525261 2.143878 3.210358 2.153610 8.846464 10.203053 7.719624 9.752894 6.632154 7.251378 11.510960 8.338822 4.378653 12.085917 3.083780 4.464270 7.000463 1.078374 3.164563 9.088037 10.402635 7.492111 12.279475 7.762464 9.266322 8.697689 5.215664 11.493011 13.065545 12.292873 3.422927 3.101340 5.192835 4.985031 12.350346 0.000000 5.097853 8.345154 9.062728 5.995807 4.056884 6.550304 3.187544 2.120770 2.152057 7.213354 8.556565 6.771362 7.828056 5.622044 5.566582 9.589695 8.015829 4.339863 10.442147 4.418334 3.060130 5.073914 3.172510 1.079526 7.167893 9.157576 6.576505 10.328256 7.966793 8.862385 8.392810 5.194732 9.922173 11.245843 10.975464 4.957695 5.155992 3.058261 3.396134 9.868226 4.183077 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4718809 0.1189167 0.1090985</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.335385" y3="-0.820679" z3="-1.447842">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.416969" y3="2.162277" z3="-0.118995">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.642579" y3="-0.445365" z3="2.050554">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="0.020442" y3="2.735291" z3="-0.8024">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="0.930322" y3="1.923992" z3="1.114074">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.878589" y3="0.43165" z3="0.472814">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.487465" y3="-0.65757" z3="-0.14824">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.80272" y3="0.089339" z3="0.749703">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.675261" y3="1.129379" z3="0.286495">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.378018" y3="-0.967902" z3="0.314563">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.749937" y3="-0.374531" z3="-0.14453">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.329784" y3="-1.664719" z3="-0.607074">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.08495" y3="1.010481" z3="0.052247">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.217558" y3="-0.593606" z3="-0.651518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.580643" y3="0.574973" z3="-0.059639">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.995986" y3="-0.675241" z3="0.678908">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.830846" y3="-2.096557" z3="-1.99461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.318704" y3="-1.545506" z3="-0.04875">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.528318" y3="-2.093773" z3="0.466851">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.752106" y3="-1.868785" z3="-0.535701">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.507587" y3="-0.517807" z3="1.096583">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.226722" y3="1.867342" z3="0.074931">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.61519" y3="-0.007077" z3="-0.410944">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.542176" y3="1.169763" z3="0.994261">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.453796" y3="-1.467808" z3="1.281222">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.962167" y3="-0.534606" z3="-1.205704">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-0.972653" y3="-2.561221" z3="-0.086086">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.765329" y3="0.049337" z3="0.369553">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-1.047175" y3="-2.627334" z3="-2.542469">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.690269" y3="-2.76902" z3="-1.903382">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.132967" y3="-1.234231" z3="-2.59833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.830114" y3="-2.447686" z3="0.313456">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.77946" y3="-2.833682" z3="0.768403">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.429768" y3="-2.256677" z3="1.067012">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.786306" y3="-2.266708" z3="-0.58256">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.170108" y3="-2.731374" z3="-0.011958">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.827839" y3="-2.021914" z3="-1.612141">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.741056" y3="0.260102" z3="1.113301">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.593181" y3="-0.998137" z3="2.075089">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.437786" y3="-0.57501" z3="2.58403">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.362139" y3="-0.369696" z3="-1.101019">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="4.235834" y3="1.949498" z3="1.676042">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3354,-.8207,-1.4478;-3.417,2.1623,-.119;-4.6426,-.4454,2.0506;.0204,2.7353,-.8024;.9303,1.924,1.1141;-1.8786,.4316,.4728;4.4875,-.6576,-.1482;3.8027,.0893,.7497;5.6753,1.1294,.2865;-2.378,-.9679,.3146;-3.7499,-.3745,-.1445;-1.3298,-1.6647,-.6071;-3.085,1.0105,.0522;-.2176,-.5936,-.6515;-.5806,.575,-.0596;-4.996,-.6752,.6789;-1.8308,-2.0966,-1.9946;2.3187,-1.5455,-.0488;-5.5283,-2.0938,.4669;3.7521,-1.8688,-.5357;2.5076,-.5178,1.0966;.2267,1.8673,.0749;5.6152,-.0071,-.4109;4.5422,1.1698,.9943;-2.4538,-1.4678,1.2812;-3.9622,-.5346,-1.2057;-.9727,-2.5612,-.0861;-5.7653,.0493,.3696;-1.0472,-2.6273,-2.5425;-2.6903,-2.769,-1.9034;-2.133,-1.2342,-2.5983;1.8301,-2.4477,.3135;-4.7795,-2.8337,.7684;-6.4298,-2.2567,1.067;-5.7863,-2.2667,-.5826;4.1701,-2.7314,-.012;3.8278,-2.0219,-1.6121;1.7411,.2601,1.1133;2.5932,-.9981,2.0751;-5.4378,-.575,2.584;6.3621,-.3697,-1.101;4.2358,1.9495,1.676;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.766171 0.000000 6.936547 3.606780 0.000000 3.845854 3.551222 6.324530 0.000000 3.776336 4.525061 6.127648 2.271334 0.000000 3.948022 2.389963 3.301221 3.246422 3.244731 0.000000 3.413383 8.392406 9.393479 5.647453 4.572873 6.488355 0.000000 3.427109 7.561456 8.561612 4.869878 3.427738 5.698343 1.353902 0.000000 5.064106 9.159691 10.585345 5.978430 4.881674 7.588293 2.189301 2.191496 0.000000 4.113041 3.326471 2.900853 4.551247 4.466249 1.494395 6.888059 6.285588 8.321939 0.000000 5.268603 2.558694 2.370701 4.931485 5.363965 2.129081 8.242265 7.619545 9.554156 1.563656 0.000000 2.919318 4.386395 4.418645 4.606663 4.577038 2.421179 5.921593 5.591078 7.594478 1.560052 2.781308 0.000000 5.014257 1.210865 2.922145 3.653607 4.252574 1.402579 7.756550 6.983906 8.764148 2.117206 1.548932 3.266804 0.000000 1.759922 4.256137 5.186905 3.340803 3.282262 2.252620 4.732296 4.311899 6.210786 2.396037 3.575295 1.544766 3.360107 0.000000 2.747019 3.250816 4.689704 2.362197 2.341041 1.410217 5.216583 4.483832 6.289953 2.398133 3.309560 2.424276 2.544354 1.359312 0.000000 6.680605 3.343868 1.434975 6.244242 6.485871 3.314491 9.519472 8.832147 10.829873 2.659353 1.523521 4.009222 2.624200 4.960854 4.647983 0.000000 3.457143 4.916440 5.195732 5.309933 5.783838 3.533029 6.738014 6.636751 8.482438 2.627839 3.173497 1.537142 3.926333 2.581755 3.527633 4.380177 0.000000 1.857350 6.830120 7.353697 4.916831 3.913718 4.668880 2.345603 2.347882 4.305098 4.746032 6.181324 3.692885 5.978524 2.775260 3.592042 7.402131 4.616145 0.000000 7.238593 4.786959 2.451510 7.464556 7.633830 4.438279 10.136909 9.587192 11.659391 3.348906 2.547983 4.354893 3.972196 5.630756 5.646139 1.529895 4.441857 7.883032 0.000000 2.787664 8.235213 8.898628 5.932450 5.006933 6.165535 1.468986 2.342877 3.655614 6.254035 7.659404 5.086486 7.441854 4.171058 4.997129 8.912292 5.774916 1.547989 9.337130 0.000000 2.817781 6.615198 7.213888 4.513832 2.906967 4.530905 2.342870 1.471843 3.661096 4.968227 6.381027 4.352387 5.890906 3.238521 3.473929 7.516838 5.556072 1.550365 8.213160 2.457299 0.000000 3.282291 3.660748 5.741236 1.251238 1.256216 2.579119 4.957713 4.050232 5.502356 3.857551 4.570337 3.919604 3.420803 2.604108 1.529760 5.840051 4.922305 4.004900 6.997465 5.172992 3.454715 0.000000 4.478151 9.293612 10.558073 6.242998 5.291757 7.558454 1.328125 2.154401 1.334752 8.083373 9.376119 7.142752 8.771682 5.867098 6.233021 10.687904 7.894136 3.655785 11.371130 2.636778 3.491516 5.725829 0.000000 4.495468 8.097679 9.385314 5.111257 3.691708 6.484053 2.155793 1.331886 1.336579 7.274660 8.511218 6.714050 7.686729 5.336022 5.263816 9.720084 7.760001 3.661200 10.599230 3.492529 2.645357 4.467094 2.123891 0.000000 4.714282 4.008220 2.535356 5.303713 4.794215 2.142971 7.133089 6.469251 8.591648 1.090907 2.215402 2.206318 2.837367 3.082284 3.078889 2.730142 3.393298 4.954959 3.241561 6.478828 5.054890 4.445620 8.372914 7.482162 0.000000 5.310794 2.958269 3.327783 5.168758 5.946640 2.844710 8.516434 8.031588 9.893206 2.237965 1.093963 2.926594 2.176982 3.785855 3.738895 2.154141 2.757643 6.466050 2.771510 7.857414 6.867207 4.995616 9.624745 8.948105 3.054644 0.000000 3.195451 5.318571 4.744517 5.436211 5.017852 3.176534 5.782789 5.525233 7.612759 2.161998 3.535299 1.096672 4.151867 2.182061 3.160709 4.508808 2.143566 3.444721 4.612844 4.796349 4.205510 4.590926 7.073108 6.745423 2.293223 3.781258 0.000000 7.381056 3.196559 2.081120 6.485597 6.992881 3.906862 10.290171 9.575681 11.491757 3.537185 2.122675 4.854467 2.865120 5.677475 5.228907 1.101182 5.066980 8.250460 2.158370 9.750910 8.324143 6.268701 11.407391 10.387024 3.754879 2.464511 5.476529 0.000000 3.184148 5.867667 6.227662 5.738065 6.164038 4.374993 6.343858 6.460664 8.204088 3.561950 4.257952 2.179965 4.911087 2.898276 4.078831 5.457202 1.093624 4.326444 5.424144 5.256958 5.507189 5.354970 7.469688 7.626745 4.236000 3.829312 2.458402 6.156738 0.000000 4.495490 5.294319 4.984426 6.233583 6.651171 4.068098 7.684960 7.574165 9.485524 2.874162 3.154368 2.179637 4.273744 3.523334 4.362590 4.045796 1.095050 5.479640 3.758788 6.647193 6.409794 5.823951 8.878983 8.730326 3.448300 2.664035 2.509173 4.750302 1.768690 0.000000 3.677514 4.396820 5.341590 4.860004 5.756740 3.503112 7.082768 6.942156 8.653166 2.935289 3.061831 2.189868 3.601467 2.805221 3.482510 4.387441 1.095153 5.139515 4.654305 6.268268 5.974980 4.725908 8.143985 7.952573 3.899796 2.403093 3.068974 4.863119 1.767145 1.774574 0.000000 2.448281 6.997904 6.994466 5.602080 4.534555 4.697920 3.237159 3.243143 5.251787 4.460733 5.970318 3.383101 6.015397 2.926047 3.884252 7.061924 4.342015 1.088045 7.368535 2.179506 2.190135 4.609472 4.561593 4.572167 4.499847 6.286354 2.833377 7.995563 4.058001 5.044947 5.065272 0.000000 6.808469 5.253900 2.714168 7.517975 7.440199 4.377764 9.563033 9.066323 11.191035 3.074741 2.817941 3.893415 4.261671 5.276842 5.471256 2.171120 4.107544 7.260239 1.095074 8.684430 7.653237 6.902347 10.836480 10.147486 2.745416 3.138601 3.911031 3.072917 4.993436 3.392247 4.571330 6.636448 0.000000 8.287592 5.478205 2.728049 8.367775 8.464700 5.319154 11.100449 10.502775 12.593899 4.317847 3.491676 5.400261 4.784546 6.656628 6.595441 2.169630 5.527137 8.847963 1.095145 10.314539 9.104991 7.893074 12.342045 11.494753 4.059132 3.770917 5.585919 2.499126 6.491382 4.803081 5.739566 8.296384 1.773589 0.000000 7.318347 5.044260 3.399808 7.667245 8.096520 4.864689 10.408090 9.963699 11.985666 3.756083 2.814072 4.497064 4.294215 5.815065 5.953782 2.179145 4.203391 8.154525 1.094407 9.546824 8.640998 7.326607 11.624522 10.998784 3.900968 2.591518 4.848142 2.504201 5.141076 3.403283 4.298398 7.671079 1.777724 1.770658 0.000000 3.707853 9.029010 9.335055 6.908615 5.782438 6.842986 2.102368 2.944745 4.154512 6.789286 8.264345 5.633891 8.163423 4.922469 5.788250 9.419250 6.351799 2.198939 9.731149 1.092288 2.982066 6.058550 3.109541 4.045958 6.866223 8.507921 5.146109 10.324283 5.799513 7.116437 6.975637 2.379484 8.984108 10.665219 9.983571 0.000000 2.771694 8.498481 9.362095 6.146784 5.603394 6.552124 2.107023 3.168016 4.116847 6.582992 7.892430 5.266766 7.729959 4.396373 5.346849 9.215331 5.672087 2.224555 9.584625 1.089912 3.367876 5.562425 2.949078 4.182153 6.938121 7.941126 5.066006 10.012296 4.999780 6.567246 6.092965 2.807154 8.967249 10.604314 9.672216 1.783555 0.000000 2.809290 5.634008 6.490526 3.571692 1.850897 3.679875 3.158540 2.100434 4.113054 4.371813 5.668854 4.011818 4.997923 2.771204 2.620156 6.815520 5.288804 2.223570 7.668274 3.360906 1.092242 2.440213 4.171765 2.947529 4.539896 6.207746 4.094217 7.546085 5.429196 6.157321 5.569316 2.824854 7.225482 8.549777 8.119230 4.014403 4.121929 0.000000 3.744942 7.136114 7.256885 5.370048 3.496783 4.960675 2.940662 2.098151 4.150254 5.273821 6.749129 4.798748 6.353551 3.936786 4.135807 7.723279 6.110728 2.210350 8.351383 2.986195 1.093397 4.220395 4.036719 3.109109 5.130574 7.345138 4.452986 8.594809 6.101501 6.846832 6.650794 2.405580 7.709247 9.165902 8.881902 3.137926 4.020966 1.798421 0.000000 7.886203 4.345433 0.966312 7.226220 6.997041 4.258930 10.294792 9.444208 11.475340 3.829756 3.214664 5.314724 3.802571 6.141653 5.648299 1.958245 6.024041 8.248426 2.607160 9.790847 8.083609 6.659378 11.465631 10.255303 3.376180 4.067083 5.568839 2.324005 7.054820 5.700824 6.181687 7.841224 2.971783 2.472524 3.607021 10.183354 10.273908 7.375380 8.058194 0.000000 5.058846 10.149197 11.447356 7.067336 6.298593 8.427853 2.122513 3.191631 2.155046 8.874236 10.157213 7.815801 9.616777 6.598833 7.083720 11.500805 8.420544 4.340410 12.116667 3.062535 4.439478 6.635551 1.079643 3.173704 9.197914 10.326154 7.722179 12.223487 7.878619 9.399288 8.669266 5.182473 11.562923 13.110833 12.306591 3.401261 3.068182 5.162777 4.968667 12.363655 0.000000 5.083811 7.863385 9.203360 4.952744 3.353038 6.413874 3.191884 2.122707 2.162264 7.355806 8.513996 7.017925 7.557270 5.631839 5.300977 9.649354 8.163875 4.343426 10.637144 4.439040 3.067605 4.317787 3.175897 1.080119 7.522300 9.037835 7.111963 10.263565 8.164153 9.113044 8.304697 5.194165 10.245884 11.481197 11.104997 4.976366 5.172109 3.065069 3.397955 10.038750 4.196654 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5152891 0.1203925 0.1092519</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.315623" y3="-0.773102" z3="-1.302984">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.607094" y3="2.16767" z3="-0.210332">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.79916" y3="-0.383768" z3="1.969421">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.116205" y3="2.802427" z3="-0.886483">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="0.741726" y3="2.175451" z3="1.113028">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.994967" y3="0.532104" z3="0.468318">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.53027" y3="-0.70457" z3="-0.216186">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.953521" y3="0.013856" z3="0.773596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.784141" y3="1.038402" z3="0.178083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.440916" y3="-0.888366" z3="0.351081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.810774" y3="-0.378279" z3="-0.186212">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.371884" y3="-1.59706" z3="-0.532561">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.21568" y3="1.037486" z3="-0.029355">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.258857" y3="-0.530195" z3="-0.521336">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.672046" y3="0.67106" z3="-0.025157">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-5.07075" y3="-0.729711" z3="0.605562">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.804875" y3="-2.005363" z3="-1.9495">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.367272" y3="-1.543016" z3="0.040928">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.472032" y3="-2.194609" z3="0.457105">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.739752" y3="-1.905385" z3="-0.565305">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.693409" y3="-0.603128" z3="1.225684">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.056229" y3="2.020257" z3="0.069319">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.64137" y3="-0.05811" z3="-0.558638">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.729988" y3="1.071497" z3="1.003644">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.536062" y3="-1.35323" z3="1.33173">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.961117" y3="-0.592773" z3="-1.247642">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-1.038197" y3="-2.499048" z3="-0.006677">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.872932" y3="-0.089589" z3="0.204112">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-0.977461" y3="-2.4962" z3="-2.469278">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.642964" y3="-2.708654" z3="-1.909718">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.105553" y3="-1.137082" z3="-2.544959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.875827" y3="-2.441023" z3="0.410015">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.677444" y3="-2.854056" z3="0.820729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.383681" y3="-2.396716" z3="1.028991">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.677851" y3="-2.435141" z3="-0.590174">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.190482" y3="-2.783014" z3="-0.099362">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.73093" y3="-2.027487" z3="-1.648312">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.95824" y3="0.194509" z3="1.37579">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.879312" y3="-1.14043" z3="2.158168">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.603221" y3="-0.541219" z3="2.482328">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.302097" y3="-0.423713" z3="-1.331435">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="4.504032" y3="1.818515" z3="1.750174">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3156,-.7731,-1.303;-3.6071,2.1677,-.2103;-4.7992,-.3838,1.9694;-.1162,2.8024,-.8865;.7417,2.1755,1.113;-1.995,.5321,.4683;4.5303,-.7046,-.2162;3.9535,.0139,.7736;5.7841,1.0384,.1781;-2.4409,-.8884,.3511;-3.8108,-.3783,-.1862;-1.3719,-1.5971,-.5326;-3.2157,1.0375,-.0294;-.2589,-.5302,-.5213;-.672,.6711,-.0252;-5.0708,-.7297,.6056;-1.8049,-2.0054,-1.9495;2.3673,-1.543,.0409;-5.472,-2.1946,.4571;3.7398,-1.9054,-.5653;2.6934,-.6031,1.2257;.0562,2.0203,.0693;5.6414,-.0581,-.5586;4.73,1.0715,1.0036;-2.5361,-1.3532,1.3317;-3.9611,-.5928,-1.2476;-1.0382,-2.499,-.0067;-5.8729,-.0896,.2041;-.9775,-2.4962,-2.4693;-2.643,-2.7087,-1.9097;-2.1056,-1.1371,-2.545;1.8758,-2.441,.41;-4.6774,-2.8541,.8207;-6.3837,-2.3967,1.029;-5.6779,-2.4351,-.5902;4.1905,-2.783,-.0994;3.7309,-2.0275,-1.6483;1.9582,.1945,1.3758;2.8793,-1.1404,2.1582;-5.6032,-.5412,2.4823;6.3021,-.4237,-1.3314;4.504,1.8185,1.7502;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.837394 0.000000 6.946279 3.561205 0.000000 3.874017 3.611980 6.343350 0.000000 3.854925 4.545720 6.163151 2.264330 0.000000 3.975058 2.394701 3.309929 3.243393 3.256644 0.000000 3.394080 8.629396 9.587390 5.859868 4.941093 6.676573 0.000000 3.448187 7.922747 8.842936 5.205253 3.886301 5.978820 1.352200 0.000000 5.044081 9.466858 10.827636 6.249733 5.252900 7.800967 2.183024 2.180710 0.000000 4.106191 3.318811 2.904300 4.534071 4.482940 1.493436 6.996642 6.471580 8.449492 0.000000 5.261465 2.554197 2.371432 4.925150 5.379109 2.134095 8.347477 7.833216 9.705775 1.557364 0.000000 2.914645 4.390124 4.413413 4.588843 4.626786 2.433790 5.977629 5.714983 7.658940 1.557530 2.748376 0.000000 5.043121 1.209658 2.919328 3.668301 4.273296 1.411817 7.941624 7.286288 9.002211 2.110426 1.543739 3.254786 0.000000 1.774533 4.311135 5.180701 3.355600 3.315544 2.263178 4.802006 4.440379 6.282317 2.377137 3.570924 1.541803 3.382672 0.000000 2.769346 3.299793 4.703623 2.365072 2.357416 1.418783 5.384509 4.739810 6.469822 2.387942 3.313406 2.427262 2.569894 1.363793 0.000000 6.665598 3.347057 1.433021 6.264960 6.517850 3.327380 9.636155 9.056412 11.006254 2.646878 1.529036 3.966009 2.639582 4.946112 4.659245 0.000000 3.416718 4.866919 5.191653 5.205426 5.774380 3.510089 6.695558 6.682187 8.448921 2.635319 3.127334 1.536851 3.864746 2.570203 3.485633 4.338384 0.000000 1.872120 7.037426 7.511371 5.090248 4.197475 4.849527 2.334022 2.340265 4.284568 4.862451 6.290982 3.783265 6.150876 2.870279 3.760845 7.503629 4.645684 0.000000 7.154779 4.790923 2.453365 7.447179 7.624857 4.418718 10.135066 9.685997 11.714591 3.302299 2.544148 4.260014 3.971675 5.559210 5.611105 1.526103 4.390399 7.877339 0.000000 2.775362 8.407849 9.036214 6.093854 5.334622 6.316386 1.479445 2.349859 3.660332 6.330462 7.712730 5.121031 7.571378 4.228706 5.137489 8.965383 5.715670 1.543545 9.272860 0.000000 2.884675 7.031059 7.532586 4.894179 3.397391 4.882953 2.337378 1.474088 3.653041 5.216089 6.659459 4.539376 6.259718 3.431220 3.809783 7.789913 5.681779 1.547062 8.354517 2.449152 0.000000 3.357402 3.676937 5.741475 1.247029 1.258300 2.565386 5.246259 4.439655 5.812473 3.843854 4.557629 3.935321 3.417743 2.636847 1.536113 5.842585 4.872880 4.247192 6.962553 5.420494 3.895388 0.000000 4.447173 9.518902 10.747176 6.437377 5.638243 7.727654 1.330311 2.151479 1.328714 8.175589 9.464894 7.180165 8.940235 5.919200 6.377736 10.796107 7.821307 3.644742 11.362397 2.651154 3.488742 5.992307 0.000000 4.514529 8.496015 9.687889 5.482179 4.139676 6.767758 2.163860 1.332077 1.339359 7.462491 8.744268 6.834762 8.012608 5.457065 5.513688 9.972828 7.803369 3.653071 10.726014 3.507705 2.646002 4.859746 2.132453 0.000000 4.702525 3.990213 2.543250 5.295816 4.821132 2.143070 7.262909 6.655458 8.733646 1.089414 2.208975 2.211412 2.833718 3.049082 3.068134 2.709380 3.424381 5.073940 3.176918 6.579472 5.284057 4.437800 8.492421 7.666970 0.000000 5.280110 2.970083 3.330990 5.142097 5.945802 2.841762 8.554533 8.191147 9.983159 2.225826 1.093273 2.867762 2.167405 3.773349 3.729575 2.164348 2.671590 6.527777 2.784763 7.841678 7.099307 4.970049 9.642009 9.130903 3.043393 0.000000 3.193708 5.330944 4.745969 5.452501 5.125701 3.213863 5.854217 5.642762 7.687130 2.165620 3.495294 1.096122 4.153194 2.179134 3.191237 4.445996 2.146179 3.537440 4.468408 4.846988 4.363268 4.650555 7.132983 6.858681 2.312538 3.703693 0.000000 7.376575 3.225059 2.087066 6.533993 7.050549 3.936359 10.429835 9.843485 11.711550 3.526809 2.118536 4.803602 2.895824 5.677874 5.261214 1.102005 4.985713 8.368993 2.157739 9.812891 8.642311 6.294806 11.539581 10.696228 3.742061 2.452718 5.405978 0.000000 3.096376 5.811152 6.226540 5.596646 6.132931 4.339979 6.214616 6.413361 8.075964 3.561075 4.210183 2.171381 4.842497 2.859379 4.012299 5.415731 1.093482 4.289165 5.371764 5.121159 5.541818 5.283122 7.307787 7.573944 4.264185 3.744012 2.463352 6.074902 0.000000 4.448023 5.253189 5.010189 6.148458 6.666904 4.071544 7.638042 7.624031 9.455974 2.909551 3.124884 2.178956 4.230524 3.515289 4.342644 4.017087 1.094804 5.501473 3.724207 6.572044 6.537650 5.793517 8.802329 8.782805 3.515051 2.579307 2.498155 4.664812 1.769787 0.000000 3.657790 4.315842 5.310615 4.714635 5.697433 3.446484 7.045878 7.003560 8.625251 2.925983 3.007865 2.190799 3.505623 2.806003 3.416683 4.345588 1.094939 5.182447 4.632919 6.219076 6.126410 4.634280 8.069973 8.012180 3.906505 2.328609 3.071983 4.779936 1.767914 1.778252 0.000000 2.455637 7.189388 7.156780 5.756984 4.805439 4.881181 3.233181 3.236577 5.237853 4.587863 6.078472 3.485448 6.181950 3.012566 4.045503 7.156938 4.393709 1.088191 7.352140 2.170800 2.170625 4.830117 4.560249 4.564694 4.636552 6.343009 2.944237 8.100303 4.053964 5.086478 5.126746 0.000000 6.690096 5.237029 2.727019 7.464266 7.399242 4.334277 9.511964 9.095092 11.180741 3.014393 2.809719 3.786576 4.243053 5.169659 5.402331 2.171135 4.079964 7.207977 1.094744 8.583138 7.717521 6.836023 10.779512 10.195254 2.664417 3.147171 3.748967 3.074360 4.964079 3.408165 4.570611 6.579106 0.000000 8.206918 5.484430 2.728932 8.365487 8.466592 5.305954 11.114321 10.617618 12.672014 4.275520 3.488647 5.309990 4.790623 6.587934 6.568504 2.163789 5.476315 8.847838 1.094990 10.259974 9.254685 7.867850 12.352792 11.642284 3.998085 3.782338 5.445850 2.502823 6.440108 4.767208 5.715083 8.282787 1.778701 0.000000 7.223514 5.061441 3.395844 7.645379 8.085136 4.846502 10.360524 10.030991 12.001374 3.708938 2.807106 4.387146 4.293710 5.744480 5.918261 2.169527 4.127035 8.119001 1.094080 9.432524 8.759658 7.291446 11.566159 11.097742 3.838631 2.602645 4.676638 2.484062 5.062453 3.320623 4.274045 7.619610 1.779593 1.766739 0.000000 3.708539 9.237086 9.531522 7.096778 6.160373 7.040742 2.109273 2.939505 4.149692 6.911442 8.355261 5.703864 8.333808 5.004985 5.964924 9.512276 6.322346 2.209382 9.696394 1.091097 2.957850 6.339709 3.121075 4.045361 7.024151 8.518466 5.237204 10.422041 5.692662 7.069576 6.951985 2.394588 8.915813 10.641209 9.886653 0.000000 2.743436 8.574014 9.410220 6.221647 5.850217 6.619481 2.107139 3.175259 4.117167 6.586870 7.857157 5.241076 7.763406 4.407988 5.413223 9.177895 5.544036 2.224367 9.442204 1.089904 3.371216 5.730438 2.952222 4.199368 6.972120 7.834955 5.065758 9.971013 4.802356 6.415517 5.971711 2.801630 8.802280 10.469462 9.476866 1.783607 0.000000 2.919770 6.114089 6.808029 4.027708 2.339462 4.070052 3.155640 2.091989 4.096849 4.644913 6.004120 4.235711 5.427199 3.006626 3.017973 7.131209 5.482520 2.228936 7.858805 3.369152 1.095094 2.942425 4.167886 2.930902 4.753545 6.522346 4.259706 7.923434 5.535594 6.355627 5.801709 2.808121 7.323533 8.741988 8.312037 4.003076 4.150288 0.000000 3.815708 7.656812 7.717972 5.812843 4.081257 5.423243 2.924584 2.098414 4.135949 5.624404 7.129813 5.051851 6.832093 4.171359 4.545388 8.110658 6.289885 2.215167 8.587774 2.956826 1.092144 4.724725 4.022613 3.106533 5.482204 7.661001 4.677528 9.029086 6.174631 7.035806 6.853342 2.398867 7.863194 9.415749 9.080457 3.084427 4.000177 1.800709 0.000000 7.890042 4.309643 0.966632 7.255081 7.036592 4.269397 10.487911 9.724155 11.725048 3.829216 3.218776 5.301751 3.808046 6.130607 5.663354 1.959925 6.017661 8.395998 2.617716 9.921701 8.391487 6.664319 11.658546 10.562318 3.375011 4.075762 5.555869 2.338158 7.052518 5.722845 6.153239 7.989987 2.994526 2.482775 3.610094 10.373398 10.314919 7.677331 8.509847 0.000000 4.998780 10.303601 11.581673 7.197260 6.606723 8.543651 2.112353 3.184090 2.164418 8.915550 10.177610 7.804161 9.716923 6.611635 7.179384 11.540678 8.282911 4.314981 12.040143 3.057436 4.426474 6.851712 1.080482 3.187440 9.277365 10.264948 7.742216 12.276029 7.653878 9.250378 8.524677 5.166629 11.449397 13.053478 12.170228 3.397532 3.046867 5.155614 4.940290 12.501807 0.000000 5.119004 8.351997 9.562819 5.409864 3.832533 6.747962 3.198941 2.124515 2.172263 7.583994 8.815412 7.169618 7.960570 5.775925 5.591086 9.973968 8.252996 4.334415 10.830468 4.451180 3.068844 4.759088 3.185259 1.080000 7.732916 9.298385 7.241835 10.663609 8.152748 9.217897 8.418452 5.181424 10.343901 11.697459 11.280140 4.969222 5.190292 3.042797 3.400225 10.404852 4.213899 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5063974 0.1164098 0.1056093</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.323373" y3="-0.807527" z3="-1.500145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.447363" y3="2.179472" z3="-0.241356">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.635023" y3="-0.371775" z3="2.060085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.133062" y3="2.781603" z3="-1.053302">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="0.957974" y3="2.117734" z3="0.823331">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.874146" y3="0.511112" z3="0.425975">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.477906" y3="-0.630139" z3="-0.145641">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.758151" y3="-0.031538" z3="0.832305">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.606975" y3="1.138718" z3="0.529318">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.350163" y3="-0.901844" z3="0.345282">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.734226" y3="-0.356712" z3="-0.134278">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.303081" y3="-1.628788" z3="-0.549097">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.103603" y3="1.046286" z3="0.00695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.220193" y3="-0.542876" z3="-0.688533">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.596402" y3="0.647421" z3="-0.157125">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.978886" y3="-0.645253" z3="0.697297">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.812115" y3="-2.166491" z3="-1.893833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.337664" y3="-1.612092" z3="-0.164163">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.484317" y3="-2.077829" z3="0.525896">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.784926" y3="-1.807988" z3="-0.685436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.482389" y3="-0.720054" z3="1.091769">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.145133" y3="1.986827" z3="-0.12921">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.589812" y3="0.093735" z3="-0.312155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.458447" y3="1.038949" z3="1.213576">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.405189" y3="-1.352011" z3="1.338613">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.941379" y3="-0.566127" z3="-1.188272">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-0.909018" y3="-2.477555" z3="0.022045">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.763114" y3="0.054849" z3="0.370076">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-1.022379" y3="-2.723199" z3="-2.406513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.659215" y3="-2.844515" z3="-1.746158">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.132064" y3="-1.356317" z3="-2.557028">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.888957" y3="-2.570945" z3="0.094224">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.727274" y3="-2.796872" z3="0.854807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.387522" y3="-2.238656" z3="1.123968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.731379" y3="-2.285842" z3="-0.520028">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.244763" y3="-2.707755" z3="-0.270757">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.869949" y3="-1.820129" z3="-1.772082">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.689651" y3="0.025694" z3="1.208407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.584821" y3="-1.316715" z3="2.002279">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.430248" y3="-0.503193" z3="2.594332">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.350162" y3="-0.148144" z3="-1.039204">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="4.112808" y3="1.715679" z3="1.979981">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3234,-.8075,-1.5001;-3.4474,2.1795,-.2414;-4.635,-.3718,2.0601;-.1331,2.7816,-1.0533;.958,2.1177,.8233;-1.8741,.5111,.426;4.4779,-.6301,-.1456;3.7582,-.0315,.8323;5.607,1.1387,.5293;-2.3502,-.9018,.3453;-3.7342,-.3567,-.1343;-1.3031,-1.6288,-.5491;-3.1036,1.0463,.0069;-.2202,-.5429,-.6885;-.5964,.6474,-.1571;-4.9789,-.6453,.6973;-1.8121,-2.1665,-1.8938;2.3377,-1.6121,-.1642;-5.4843,-2.0778,.5259;3.7849,-1.808,-.6854;2.4824,-.7201,1.0918;.1451,1.9868,-.1292;5.5898,.0937,-.3122;4.4584,1.0389,1.2136;-2.4052,-1.352,1.3386;-3.9414,-.5661,-1.1883;-.909,-2.4776,.022;-5.7631,.0548,.3701;-1.0224,-2.7232,-2.4065;-2.6592,-2.8445,-1.7462;-2.1321,-1.3563,-2.557;1.889,-2.5709,.0942;-4.7273,-2.7969,.8548;-6.3875,-2.2387,1.124;-5.7314,-2.2858,-.52;4.2448,-2.7078,-.2708;3.8699,-1.8201,-1.7721;1.6897,.0257,1.2084;2.5848,-1.3167,2.0023;-5.4302,-.5032,2.5943;6.3502,-.1481,-1.0392;4.1128,1.7157,1.98;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.767723 0.000000 6.954682 3.635385 0.000000 3.899067 3.465027 6.317011 0.000000 3.753560 4.532589 6.245705 2.269985 0.000000 3.958898 2.388256 3.327499 3.220988 3.280249 0.000000 3.437619 8.409100 9.379629 5.807310 4.569423 6.479025 0.000000 3.459859 7.613195 8.489321 5.158566 3.529935 5.672948 1.353790 0.000000 5.124045 9.146483 10.465341 6.176712 4.760055 7.508112 2.204364 2.208948 0.000000 4.112100 3.323026 2.905531 4.520991 4.504460 1.493168 6.851084 6.189194 8.216679 0.000000 5.258149 2.554601 2.372107 4.864361 5.390421 2.127651 8.216690 7.561463 9.483391 1.562938 0.000000 2.911567 4.381266 4.414720 4.590721 4.586105 2.419929 5.880466 5.484117 7.521365 1.557159 2.775017 0.000000 5.030514 1.209932 2.927714 3.599941 4.279123 1.404834 7.766142 6.994754 8.726717 2.115976 1.544680 3.272169 0.000000 1.763902 4.245677 5.203355 3.345565 3.279125 2.255788 4.730167 4.289712 6.186017 2.394662 3.562342 1.539900 3.364994 0.000000 2.757918 3.237631 4.718606 2.360624 2.353550 1.411105 5.232675 4.516866 6.260548 2.393390 3.294654 2.415402 2.544027 1.356737 0.000000 6.676342 3.347492 1.431860 6.187887 6.549526 3.324185 9.494297 8.759605 10.736443 2.664571 1.524451 4.004046 2.618124 4.957435 4.648356 0.000000 3.439921 4.928702 5.179121 5.292385 5.780221 3.543292 6.706781 6.558789 8.475786 2.627254 3.172671 1.535108 3.950045 2.573536 3.523097 4.365382 0.000000 1.860365 6.917257 7.423209 5.118555 4.097596 4.753483 2.354827 2.347100 4.328541 4.768617 6.200380 3.661076 6.058353 2.821492 3.703267 7.430262 4.529876 0.000000 7.215480 4.781471 2.446561 7.398911 7.693786 4.443640 10.089235 9.471241 11.548288 3.352385 2.541829 4.340505 3.961969 5.616220 5.637839 1.528762 4.398639 7.866161 0.000000 2.779193 8.270613 8.971964 6.045684 5.067478 6.215992 1.469330 2.336671 3.671317 6.286715 7.677735 5.092986 7.488532 4.200178 5.050166 8.948089 5.737213 1.550699 9.351952 0.000000 2.840597 6.733976 7.191418 4.868625 3.232482 4.575855 2.349756 1.472733 3.678916 4.893245 6.346771 4.224692 5.958196 3.241114 3.592865 7.472069 5.426672 1.547270 8.101369 2.457369 0.000000 3.328082 3.599405 5.762457 1.250202 1.259040 2.561923 5.061788 4.248789 5.566387 3.846565 4.532287 3.917435 3.384884 2.616430 1.531229 5.819495 4.918817 4.214336 6.974332 5.287542 3.778989 0.000000 4.519524 9.275012 10.506735 6.365942 5.180716 7.511971 1.337182 2.163438 1.341775 8.029110 9.336607 7.108811 8.751265 5.856884 6.212877 10.642484 7.899294 3.675352 11.316111 2.648302 3.505615 5.767304 0.000000 4.538992 8.119080 9.241100 5.409023 3.683664 6.403176 2.152604 1.334814 1.340626 7.132867 8.419292 6.589313 7.657716 5.292435 5.252011 9.600330 7.697454 3.663865 10.442499 3.487827 2.648346 4.615867 2.121620 0.000000 4.717752 4.006719 2.540383 5.288722 4.859580 2.141528 7.078213 6.323508 8.429321 1.091963 2.219542 2.203338 2.830714 3.088402 3.083289 2.744942 3.385827 4.982031 3.266245 6.528569 4.934442 4.450448 8.290673 7.269239 0.000000 5.279503 2.946016 3.327272 5.072356 5.937451 2.835435 8.483840 7.978175 9.850263 2.235277 1.094382 2.915204 2.174925 3.754665 3.704705 2.153614 2.755494 6.447420 2.757585 7.841610 6.818143 4.933434 9.594092 8.882693 3.059844 0.000000 3.176417 5.310411 4.740362 5.423764 5.024381 3.166506 5.697369 5.331227 7.469466 2.159686 3.536129 1.096309 4.151372 2.173104 3.145680 4.514102 2.140779 3.365211 4.620282 4.793950 3.966707 4.589642 6.997000 6.526503 2.288827 3.783337 0.000000 7.379682 3.201651 2.076229 6.415503 7.045137 3.916040 10.276850 9.532869 11.422742 3.544588 2.130761 4.855039 2.861434 5.674671 5.227236 1.101013 5.066560 8.287744 2.156460 9.785158 8.313220 6.236121 11.373472 10.303410 3.767357 2.476444 5.486022 0.000000 3.161306 5.882571 6.207326 5.738023 6.147221 4.382838 6.304409 6.370906 8.214733 3.557067 4.256457 2.174057 4.936124 2.889423 4.074590 5.441088 1.093822 4.189580 5.378143 5.187475 5.341720 5.360368 7.486155 7.569562 4.221172 3.828529 2.443580 6.156425 0.000000 4.480050 5.303400 4.950329 6.206021 6.656595 4.073663 7.642225 7.466183 9.453773 2.871168 3.153248 2.179460 4.290595 3.516382 4.355898 4.023444 1.095036 5.384271 3.705569 6.612599 6.245259 5.815561 8.873338 8.631480 3.436264 2.673244 2.514834 4.745413 1.769185 0.000000 3.654889 4.426528 5.343394 4.835244 5.748408 3.528756 7.073459 6.923672 8.697324 2.945763 3.071783 2.189347 3.645596 2.794317 3.483211 4.381853 1.094795 5.076385 4.611139 6.222349 5.917071 4.717683 8.171259 7.961758 3.905206 2.402398 3.066697 4.872766 1.767038 1.774861 0.000000 2.443674 7.152300 7.159838 5.835679 4.835498 4.875457 3.244521 3.238400 5.270158 4.562792 6.047746 3.389783 6.165845 3.028909 4.074073 7.158160 4.220650 1.089726 7.402343 2.187389 2.184733 4.885093 4.578427 4.570183 4.634004 6.297374 2.800464 8.094756 3.840930 4.914032 4.967199 0.000000 6.790700 5.253926 2.709668 7.474426 7.515078 4.389418 9.509519 8.924685 11.063069 3.082434 2.814038 3.880781 4.257350 5.270310 5.472775 2.171999 4.055928 7.235700 1.094678 8.706766 7.506568 6.898725 10.777739 9.960909 2.777367 3.125384 3.921037 3.072497 4.936383 3.323275 4.522270 6.663636 0.000000 8.269945 5.479826 2.726318 8.310341 8.545456 5.330945 11.056977 10.387064 12.475103 4.323619 3.487818 5.387265 4.777310 6.648065 6.596037 2.169155 5.481485 8.841986 1.095141 10.341088 8.999028 7.880402 12.286538 11.330744 4.085484 3.758646 5.593327 2.493672 6.440794 4.743940 5.695364 8.346909 1.772139 0.000000 7.274309 5.023287 3.394500 7.569976 8.120563 4.857584 10.349445 9.846921 11.890627 3.754575 2.803384 4.476873 4.276212 5.782689 5.924839 2.177075 4.154783 8.104939 1.094653 9.529730 8.515607 7.276113 11.570435 10.857817 3.923025 2.570617 4.856517 2.504421 5.091639 3.354654 4.238921 7.650367 1.777512 1.770726 0.000000 3.695508 9.113432 9.473132 7.064756 5.940148 6.948927 2.094397 2.935247 4.158256 6.865411 8.319272 5.658641 8.256418 4.979666 5.891264 9.500881 6.293895 2.202014 9.781946 1.092241 2.985531 6.234268 3.107928 4.035678 6.974953 8.511247 5.167222 10.401934 5.683703 7.061191 6.907774 2.387833 9.042803 10.733629 9.988171 0.000000 2.753972 8.478384 9.440222 6.141390 5.542791 6.577292 2.104994 3.161390 4.131401 6.634476 7.915015 5.319074 7.746723 4.419810 5.352119 9.261752 5.693913 2.230825 9.635840 1.090034 3.367066 5.573706 2.958410 4.175502 7.019467 7.932856 5.146808 10.044913 5.015268 6.609086 6.070867 2.823323 9.042501 10.666676 9.693814 1.783912 0.000000 2.857388 5.755822 6.394125 4.004078 2.249504 3.680826 3.168269 2.103193 4.128609 4.233841 5.600667 3.844811 5.045829 2.751210 2.734457 6.721665 5.166423 2.232982 7.507093 3.367374 1.094613 2.832101 4.186645 2.948381 4.322353 6.148400 3.798261 7.499823 5.289533 5.990007 5.540212 2.832607 7.019176 8.388988 7.962560 4.023464 4.128447 0.000000 3.757326 7.324238 7.281648 5.789618 3.978944 5.070313 2.944269 2.096956 4.163194 5.222243 6.739201 4.660761 6.474819 3.963256 4.317527 7.704771 5.935895 2.200410 8.238325 2.984194 1.093401 4.626955 4.046721 3.111540 5.034074 7.303033 4.180405 8.615874 5.867498 6.624565 6.560324 2.387047 7.548131 9.062248 8.744165 3.139600 4.018804 1.798228 0.000000 7.903718 4.378316 0.966992 7.221863 7.128471 4.286776 10.280811 9.367704 11.348148 3.834589 3.216094 5.308637 3.809031 6.158202 5.679833 1.955160 6.000090 8.317416 2.600160 9.868070 8.056957 6.686012 11.412525 10.103019 3.383535 4.065561 5.563838 2.317223 7.026108 5.656879 6.175949 8.006055 2.963289 2.467828 3.601077 10.328343 10.358261 7.272790 8.077975 0.000000 5.090763 10.101775 11.416212 7.114479 6.138317 8.379774 2.129817 3.199167 2.160695 8.841975 10.127057 7.810547 9.586177 6.591537 7.047392 11.472135 8.451443 4.359929 12.092483 3.075821 4.452842 6.624846 1.079462 3.172191 9.152021 10.301105 7.697279 12.196669 7.928102 9.430752 8.701243 5.201632 11.546109 13.088092 12.280185 3.402180 3.079627 5.177098 4.979355 12.333155 0.000000 5.124334 7.893391 8.993799 5.325824 3.384148 6.301550 3.186602 2.120310 2.160982 7.161959 8.386944 6.849346 7.511160 5.567489 5.280630 9.480410 8.073561 4.338496 10.421606 4.430372 3.062676 4.501628 3.172717 1.079262 7.232313 8.950664 6.829016 10.143174 8.081777 8.974396 8.307830 5.184278 9.988802 11.252841 10.916512 4.964877 5.161289 3.053370 3.395682 9.816860 4.194648 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4946261 0.1208146 0.1099795</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.343233" y3="-0.90724" z3="-1.459083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.420108" y3="2.181423" z3="-0.186649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.634927" y3="-0.324453" z3="2.052151">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.054109" y3="2.733014" z3="-0.975234">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="1.096982" y3="1.94681" z3="0.814229">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.855619" y3="0.478553" z3="0.427975">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.4553" y3="-0.604189" z3="-0.144261">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.727587" y3="0.007126" z3="0.817787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.511988" y3="1.242004" z3="0.426524">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.358143" y3="-0.924392" z3="0.323676">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.733391" y3="-0.352297" z3="-0.141321">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.341438" y3="-1.657795" z3="-0.598837">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.077136" y3="1.036374" z3="-0.004618">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.212272" y3="-0.61591" z3="-0.667799">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.564406" y3="0.583569" z3="-0.143629">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.977783" y3="-0.634081" z3="0.698489">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.851639" y3="-2.089347" z3="-1.980844">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.359393" y3="-1.659147" z3="-0.089731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.466037" y3="-2.07436" z3="0.555789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.806138" y3="-1.845343" z3="-0.60845">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.496348" y3="-0.735388" z3="1.14131">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.207546" y3="1.905565" z3="-0.078132">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.533395" y3="0.159501" z3="-0.361172">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.381661" y3="1.124449" z3="1.140309">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.415613" y3="-1.389172" z3="1.309452">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.945996" y3="-0.553423" z3="-1.195434">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-0.992909" y3="-2.555177" z3="-0.074736">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.767349" y3="0.050621" z3="0.350949">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-1.060788" y3="-2.611778" z3="-2.526706">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.702848" y3="-2.771669" z3="-1.887049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.160973" y3="-1.230126" z3="-2.584354">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.922729" y3="-2.615833" z3="0.197013">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.694845" y3="-2.780234" z3="0.879572">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.358699" y3="-2.237394" z3="1.168934">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.729583" y3="-2.296217" z3="-0.483226">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.306619" y3="-2.698077" z3="-0.145609">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.889819" y3="-1.912647" z3="-1.693201">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.679268" y3="-0.015305" z3="1.266403">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.662415" y3="-1.301262" z3="2.061362">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.426412" y3="-0.45246" z3="2.592931">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.288897" y3="-0.09344" z3="-1.089957">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="4.016207" y3="1.818349" z3="1.881379">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3432,-.9072,-1.4591;-3.4201,2.1814,-.1866;-4.6349,-.3245,2.0522;-.0541,2.733,-.9752;1.097,1.9468,.8142;-1.8556,.4786,.428;4.4553,-.6042,-.1443;3.7276,.0071,.8178;5.512,1.242,.4265;-2.3581,-.9244,.3237;-3.7334,-.3523,-.1413;-1.3414,-1.6578,-.5988;-3.0771,1.0364,-.0046;-.2123,-.6159,-.6678;-.5644,.5836,-.1436;-4.9778,-.6341,.6985;-1.8516,-2.0893,-1.9808;2.3594,-1.6591,-.0897;-5.466,-2.0744,.5558;3.8061,-1.8453,-.6085;2.4963,-.7354,1.1413;.2075,1.9056,-.0781;5.5334,.1595,-.3612;4.3817,1.1244,1.1403;-2.4156,-1.3892,1.3095;-3.946,-.5534,-1.1954;-.9929,-2.5552,-.0747;-5.7673,.0506,.3509;-1.0608,-2.6118,-2.5267;-2.7028,-2.7717,-1.887;-2.161,-1.2301,-2.5844;1.9227,-2.6158,.197;-4.6948,-2.7802,.8796;-6.3587,-2.2374,1.1689;-5.7296,-2.2962,-.4832;4.3066,-2.6981,-.1456;3.8898,-1.9126,-1.6932;1.6793,-.0153,1.2664;2.6624,-1.3013,2.0614;-5.4264,-.4525,2.5929;6.2889,-.0934,-1.09;4.0162,1.8183,1.8814;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.817934 0.000000 6.957499 3.573153 0.000000 3.929138 3.500867 6.284668 0.000000 3.657074 4.632592 6.288550 2.268326 0.000000 3.964097 2.392730 3.317727 3.208898 3.320064 0.000000 3.391985 8.353651 9.355998 5.671173 4.324881 6.428646 0.000000 3.421308 7.538303 8.459623 4.994658 3.268405 5.616617 1.352334 0.000000 5.055026 9.002268 10.395014 5.930385 4.487688 7.407057 2.202456 2.205016 0.000000 4.108370 3.321790 2.920838 4.513574 4.519107 1.493875 6.836995 6.176405 8.163505 0.000000 5.274141 2.553417 2.371679 4.873568 5.434286 2.130830 8.192564 7.530953 9.399003 1.560391 0.000000 2.917330 4.385244 4.433125 4.591088 4.575568 2.425429 5.909221 5.520308 7.511967 1.556470 2.763165 0.000000 5.043091 1.209092 2.916995 3.599913 4.350019 1.410817 7.710288 6.931086 8.602396 2.114079 1.542001 3.259492 0.000000 1.769349 4.283316 5.200284 3.366723 3.236987 2.258132 4.696856 4.256480 6.116906 2.383894 3.570007 1.537952 3.373025 0.000000 2.755362 3.272617 4.713288 2.360526 2.352898 1.415977 5.158316 4.435968 6.138499 2.389521 3.304287 2.415513 2.556984 1.355545 0.000000 6.684682 3.337198 1.430322 6.195260 6.601300 3.325514 9.470701 8.729768 10.659688 2.662194 1.527481 3.994252 2.626260 4.957537 4.655076 0.000000 3.446275 4.890676 5.208319 5.243809 5.726898 3.520871 6.734702 6.584473 8.433049 2.631441 3.153122 1.535085 3.895824 2.565663 3.489528 4.366853 0.000000 1.863618 6.939886 7.435696 5.089222 3.926035 4.754378 2.347069 2.339232 4.315327 4.792277 6.231576 3.735685 6.068684 2.834778 3.685279 7.450249 4.636181 0.000000 7.196390 4.780035 2.447860 7.398908 7.701287 4.423666 10.054074 9.429949 11.468740 3.321943 2.540379 4.303371 3.962016 5.588049 5.619587 1.527468 4.415722 7.862980 0.000000 2.769390 8.283200 8.980172 5.999782 4.872778 6.207267 1.475583 2.339222 3.675976 6.302014 7.700123 5.151001 7.486546 4.202695 5.021686 8.962841 5.826959 1.548163 9.347788 0.000000 2.849781 6.728723 7.200942 4.797332 3.042924 4.574070 2.346785 1.473751 3.676286 4.926493 6.371934 4.313646 5.959531 3.259412 3.571964 7.487923 5.521416 1.545169 8.095385 2.451369 0.000000 3.332969 3.639746 5.741134 1.248169 1.260598 2.559132 4.934233 4.098467 5.369552 3.840946 4.542347 3.920206 3.398534 2.623317 1.532277 5.825855 4.880561 4.163863 6.959253 5.224980 3.701389 0.000000 4.461032 9.180623 10.461983 6.182252 4.925221 7.437881 1.338866 2.161968 1.338931 7.995012 9.283511 7.114940 8.662406 5.805856 6.116399 10.594221 7.887926 3.668166 11.261370 2.657811 3.504559 5.611908 0.000000 4.485158 7.984085 9.177670 5.170982 3.401723 6.310964 2.154932 1.334258 1.341993 7.091516 8.347300 6.596921 7.546672 5.234723 5.138543 9.533458 7.676204 3.653898 10.370689 3.494144 2.648282 4.417915 2.124161 0.000000 4.693182 3.999560 2.571106 5.271518 4.869532 2.139857 7.066747 6.319041 8.399374 1.091365 2.217294 2.206258 2.836841 3.059766 3.070849 2.740102 3.410917 4.983100 3.215988 6.526609 4.958131 4.434145 8.268984 7.249126 0.000000 5.307602 2.962024 3.327741 5.098621 5.976750 2.840793 8.466954 7.953059 9.762569 2.228584 1.093986 2.891243 2.168044 3.771339 3.719435 2.158248 2.713349 6.496394 2.773185 7.880939 6.855456 4.954482 9.542699 8.810268 3.052049 0.000000 3.176424 5.323458 4.771171 5.445843 5.042399 3.193823 5.787415 5.444729 7.548743 2.163807 3.516725 1.096107 4.153091 2.172988 3.168610 4.490847 2.141883 3.470018 4.542865 4.880530 4.118897 4.619451 7.074190 6.625857 2.302092 3.739480 0.000000 7.399601 3.215412 2.077775 6.449427 7.136470 3.935821 10.255563 9.506505 11.342334 3.545995 2.131117 4.838333 2.887107 5.686915 5.253499 1.101370 5.034830 8.316336 2.155990 9.806467 8.338535 6.270909 11.323683 10.236142 3.771720 2.464447 5.455884 0.000000 3.134419 5.832413 6.242776 5.655729 6.049673 4.348798 6.335115 6.401001 8.171571 3.557398 4.235342 2.169223 4.871920 2.856397 4.016926 5.445734 1.093776 4.306273 5.403408 5.287164 5.443197 5.292502 7.473471 7.551598 4.248108 3.785966 2.453562 6.125438 0.000000 4.475491 5.285730 5.023852 6.176468 6.633223 4.079347 7.679477 7.509216 9.431104 2.901475 3.156413 2.180285 4.264367 3.512383 4.343969 4.053346 1.094951 5.485832 3.753519 6.697746 6.352089 5.798197 8.874444 8.633360 3.494484 2.635216 2.501048 4.729177 1.769489 0.000000 3.694583 4.355810 5.332716 4.768083 5.679574 3.476629 7.079613 6.912343 8.605297 2.930697 3.035043 2.190164 3.554070 2.801406 3.434480 4.366549 1.094611 5.180822 4.636451 6.315783 5.984644 4.660857 8.128769 7.888168 3.905363 2.360791 3.068928 4.823097 1.767115 1.776575 0.000000 2.449033 7.190743 7.189911 5.821702 4.677663 4.889222 3.252244 3.243884 5.274311 4.604660 6.101619 3.493710 6.194992 3.050545 4.066701 7.196937 4.389317 1.090022 7.417262 2.188528 2.181011 4.843615 4.588132 4.574479 4.643644 6.374511 2.928903 8.140699 4.039806 5.075783 5.131551 0.000000 6.740608 5.232574 2.722020 7.441279 7.476261 4.345669 9.460896 8.871897 10.980122 3.035350 2.803836 3.832871 4.238547 5.212689 5.424264 2.172284 4.091837 7.208236 1.094454 8.680723 7.480853 6.848894 10.714401 9.884204 2.704580 3.134504 3.829580 3.073019 4.983722 3.409152 4.563127 6.654713 0.000000 8.245941 5.477123 2.722280 8.309649 8.556901 5.310661 11.015190 10.338972 12.392360 4.294518 3.487493 5.351061 4.781573 6.616749 6.576814 2.167685 5.500601 8.827443 1.095159 10.326506 8.981572 7.863514 12.227356 11.254250 4.035735 3.774537 5.517192 2.500761 6.470378 4.794760 5.720373 8.346850 1.773927 0.000000 7.273670 5.046870 3.393268 7.599095 8.141785 4.851519 10.330039 9.820188 11.820303 3.728217 2.807225 4.435850 4.286107 5.770461 5.923474 2.173557 4.162224 8.123561 1.094637 9.547196 8.528848 7.284818 11.528231 10.796948 3.875413 2.593406 4.761303 2.490969 5.106177 3.370148 4.276245 7.689133 1.778250 1.768864 0.000000 3.703237 9.138573 9.508705 7.014340 5.726957 6.956519 2.099160 2.929425 4.159866 6.912687 8.375229 5.760916 8.275617 5.002847 5.873337 9.548440 6.454671 2.207756 9.817626 1.091722 2.964016 6.164452 3.117242 4.033723 7.001345 8.591119 5.301928 10.454030 5.872488 7.222926 7.066265 2.409789 9.060028 10.755894 10.049917 0.000000 2.747864 8.512705 9.445704 6.136139 5.383545 6.574746 2.105005 3.164949 4.132370 6.639389 7.934504 5.350574 7.751549 4.422683 5.335953 9.273041 5.751374 2.231050 9.623729 1.090054 3.370779 5.544937 2.961323 4.182659 7.003458 7.968392 5.183948 10.064486 5.068730 6.651223 6.154029 2.817237 9.003796 10.645629 9.702787 1.784843 0.000000 2.887342 5.739392 6.370403 3.947504 2.096047 3.666373 3.169086 2.096990 4.120189 4.244510 5.602868 3.911721 5.034373 2.771243 2.716784 6.709825 5.226239 2.236937 7.469944 3.374565 1.096260 2.768300 4.187344 2.935620 4.319423 6.163912 3.923026 7.502967 5.351379 6.061745 5.572394 2.822342 6.958721 8.340030 7.947002 4.011734 4.152794 0.000000 3.780083 7.360689 7.362434 5.733742 3.815219 5.123312 2.926623 2.095937 4.154631 5.326123 6.830716 4.820230 6.532631 4.022668 4.339004 7.789428 6.110417 2.201614 8.302780 2.954999 1.092835 4.570291 4.030512 3.112591 5.134147 7.405206 4.415497 8.707125 6.052277 6.821884 6.697224 2.398130 7.596925 9.113357 8.825559 3.086295 3.997131 1.803392 0.000000 7.902767 4.323038 0.967097 7.193099 7.174603 4.278361 10.254924 9.335847 11.278878 3.845323 3.217528 5.322332 3.805651 6.151937 5.674611 1.955291 6.031403 8.322952 2.604243 9.870610 8.059613 6.666058 11.367435 10.039673 3.404359 4.068603 5.585142 2.322888 7.066259 5.732953 6.170262 8.026860 2.981497 2.466357 3.599180 10.357330 10.358341 7.241648 8.150592 0.000000 5.025746 10.012780 11.369087 6.945195 5.894449 8.304483 2.125391 3.195295 2.164882 8.801145 10.070411 7.804513 9.496158 6.535778 6.951378 11.420548 8.428858 4.346595 12.033744 3.076541 4.446806 6.480945 1.079764 3.177246 9.121654 10.245768 7.753420 12.142901 7.900895 9.415931 8.655957 5.204054 11.477827 13.025392 12.233733 3.406663 3.070666 5.177569 4.953889 12.285806 0.000000 5.072703 7.727053 8.914195 5.056116 3.110817 6.195626 3.188214 2.120156 2.164748 7.112060 8.298149 6.851234 7.381326 5.504903 5.158232 9.397101 8.038561 4.327041 10.335537 4.434638 3.062555 4.284062 3.175322 1.078999 7.209965 8.859388 6.931476 10.059078 8.051901 8.967442 8.209355 5.184757 9.901162 11.162227 10.839808 4.958944 5.168551 3.033441 3.405455 9.737860 4.201059 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5027284 0.1219891 0.1108803</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.381818" y3="-1.024717" z3="-1.490488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.337281" y3="2.188578" z3="-0.191085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.565232" y3="-0.217251" z3="2.063549">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.148021" y3="2.752804" z3="-0.924428">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="1.21836" y3="1.878068" z3="0.662895">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.779538" y3="0.463156" z3="0.384393">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.392407" y3="-0.56409" z3="-0.113097">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.598438" y3="-0.024187" z3="0.836836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.292755" y3="1.369308" z3="0.491366">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.311325" y3="-0.930962" z3="0.297607">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.686134" y3="-0.336255" z3="-0.135503">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.337459" y3="-1.684304" z3="-0.650407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.004076" y3="1.037838" z3="-0.039645">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.177339" y3="-0.685723" z3="-0.717414">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.497916" y3="0.52736" z3="-0.22361">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.923143" y3="-0.578176" z3="0.731076">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.870458" y3="-2.063907" z3="-2.03724">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.376224" y3="-1.768904" z3="-0.10249">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.406839" y3="-2.02416" z3="0.647845">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.845016" y3="-1.854416" z3="-0.587739">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.431754" y3="-0.870435" z3="1.147317">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.283091" y3="1.844256" z3="-0.18792">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.419542" y3="0.289402" z3="-0.299447">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.153345" y3="1.143249" z3="1.17174">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.343462" y3="-1.387271" z3="1.289624">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.924218" y3="-0.548935" z3="-1.18212">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-1.011757" y3="-2.605084" z3="-0.153561">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.72258" y3="0.088468" z3="0.371619">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-1.082019" y3="-2.562936" z3="-2.608399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.717562" y3="-2.753393" z3="-1.959909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.187581" y3="-1.185069" z3="-2.606578">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.971421" y3="-2.75266" z3="0.143853">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.624547" y3="-2.718362" z3="0.968451">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.280006" y3="-2.174669" z3="1.291772">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.701485" y3="-2.277661" z3="-0.375943">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.402271" y3="-2.660467" z3="-0.106651">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.966291" y3="-1.912151" z3="-1.669663">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.568061" y3="-0.208377" z3="1.300812">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.657696" y3="-1.449311" z3="2.046351">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.34833" y3="-0.333314" z3="2.619994">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.203863" y3="0.101888" z3="-1.0171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.708456" y3="1.801972" z3="1.899535">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3818,-1.0247,-1.4905;-3.3373,2.1886,-.1911;-4.5652,-.2173,2.0635;-.148,2.7528,-.9244;1.2184,1.8781,.6629;-1.7795,.4632,.3844;4.3924,-.5641,-.1131;3.5984,-.0242,.8368;5.2928,1.3693,.4914;-2.3113,-.931,.2976;-3.6861,-.3363,-.1355;-1.3375,-1.6843,-.6504;-3.0041,1.0378,-.0396;-.1773,-.6857,-.7174;-.4979,.5274,-.2236;-4.9231,-.5782,.7311;-1.8705,-2.0639,-2.0372;2.3762,-1.7689,-.1025;-5.4068,-2.0242,.6478;3.845,-1.8544,-.5877;2.4318,-.8704,1.1473;.2831,1.8443,-.1879;5.4195,.2894,-.2994;4.1533,1.1432,1.1717;-2.3435,-1.3873,1.2896;-3.9242,-.5489,-1.1821;-1.0118,-2.6051,-.1536;-5.7226,.0885,.3716;-1.082,-2.5629,-2.6084;-2.7176,-2.7534,-1.9599;-2.1876,-1.1851,-2.6066;1.9714,-2.7527,.1439;-4.6245,-2.7184,.9685;-6.28,-2.1747,1.2918;-5.7015,-2.2777,-.3759;4.4023,-2.6605,-.1067;3.9663,-1.9122,-1.6697;1.5681,-.2084,1.3008;2.6577,-1.4493,2.0464;-5.3483,-.3333,2.62;6.2039,.1019,-1.0171;3.7085,1.802,1.8995;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.855221 0.000000 6.974998 3.518416 0.000000 4.114668 3.320771 6.104178 0.000000 3.618002 4.645381 6.308893 2.269747 0.000000 3.965239 2.394749 3.323043 3.101185 3.326700 0.000000 3.342608 8.205568 9.224825 5.681155 4.079323 6.276594 0.000000 3.366140 7.352357 8.257579 4.984945 3.051819 5.418932 1.350650 0.000000 4.995450 8.695658 10.107861 5.789696 4.109618 7.130911 2.216761 2.220786 0.000000 4.104312 3.320081 2.950938 4.443352 4.525788 1.494621 6.726313 6.003191 7.946749 0.000000 5.290946 2.549426 2.371246 4.762660 5.440104 2.131774 8.081784 7.355802 9.160915 1.559282 0.000000 2.921517 4.382863 4.465011 4.601932 4.576841 2.424424 5.863015 5.415807 7.388365 1.553921 2.756562 0.000000 5.059165 1.207544 2.904459 3.446882 4.362168 1.417590 7.568324 6.744576 8.320412 2.114194 1.537051 3.249723 0.000000 1.773001 4.303935 5.216016 3.444877 3.228971 2.258526 4.611136 4.136401 5.967096 2.375774 3.573848 1.532166 3.379419 0.000000 2.747239 3.289787 4.725316 2.359273 2.357097 1.419981 5.011859 4.267185 5.895078 2.384706 3.304289 2.403840 2.564229 1.348400 0.000000 6.699797 3.319679 1.426132 6.052925 6.614819 3.329687 9.353731 8.540224 10.402631 2.670945 1.529600 3.998642 2.624563 4.963098 4.660072 0.000000 3.457768 4.862457 5.242940 5.235059 5.689525 3.501231 6.721254 6.506120 8.336212 2.632383 3.146119 1.533457 3.859573 2.551075 3.447868 4.380622 0.000000 1.862578 6.950802 7.435265 5.243399 3.902162 4.742310 2.348762 2.328127 4.325181 4.778633 6.229427 3.754839 6.068721 2.841144 3.680785 7.442675 4.675959 0.000000 7.187296 4.768022 2.444880 7.276441 7.689010 4.406071 9.936602 9.226626 11.225927 3.301509 2.534459 4.284952 3.952435 5.568035 5.600644 1.527010 4.440411 7.823314 0.000000 2.751491 8.251578 8.968942 6.106077 4.732320 6.160502 1.479819 2.332371 3.694971 6.287856 7.695944 5.185645 7.454905 4.190704 4.966539 8.958162 5.900134 1.549235 9.335540 0.000000 2.843269 6.665632 7.086886 4.906651 3.043233 4.482800 2.350883 1.474342 3.692160 4.818969 6.273718 4.254546 5.882060 3.212275 3.523669 7.372461 5.484050 1.540242 7.938772 2.444575 0.000000 3.336898 3.636710 5.729325 1.246499 1.264815 2.547433 4.763634 3.941158 5.077770 3.829955 4.529031 3.910347 3.387884 2.625481 1.531489 5.815290 4.830268 4.176533 6.930977 5.150470 3.710682 0.000000 4.410068 8.961058 10.273080 6.120189 4.593462 7.233573 1.348399 2.169308 1.344491 7.849335 9.128618 7.048103 8.460792 5.696547 5.922726 10.430043 7.855068 3.679293 11.111276 2.675481 3.516422 5.367787 0.000000 4.412357 7.685017 8.869040 5.048399 3.068065 6.023416 2.150107 1.335286 1.346205 6.845320 8.084259 6.439271 7.259975 5.066445 4.894951 9.248790 7.541194 3.641765 10.084843 3.489531 2.649414 4.161605 2.120542 0.000000 4.662423 3.995857 2.627578 5.182876 4.872556 2.135775 6.929444 6.113035 8.157681 1.092405 2.222249 2.205446 2.843329 3.035203 3.059695 2.760681 3.427768 4.935490 3.194024 6.483825 4.805212 4.418674 8.099421 6.973229 0.000000 5.336242 2.969954 3.324948 5.022703 5.978338 2.842172 8.385064 7.806529 9.562050 2.221927 1.094222 2.874561 2.160963 3.778063 3.717082 2.158477 2.691524 6.507649 2.779069 7.900542 6.777021 4.941381 9.422726 8.582026 3.051412 0.000000 3.164512 5.328102 4.821256 5.481536 5.073330 3.208267 5.776875 5.375482 7.480548 2.166822 3.507165 1.095798 4.153697 2.167517 3.175082 4.493315 2.139740 3.490017 4.505161 4.933584 4.069282 4.634052 7.054143 6.518029 2.310691 3.710541 0.000000 7.428264 3.227499 2.072570 6.313013 7.173853 3.960826 10.147598 9.333300 11.090199 3.561093 2.141186 4.839065 2.908730 5.703951 5.276745 1.101237 5.027342 8.322574 2.153877 9.809896 8.247083 6.282035 11.164121 9.964269 3.799865 2.460588 5.451871 0.000000 3.112288 5.788480 6.281888 5.653778 5.976255 4.312838 6.339657 6.342047 8.106098 3.552380 4.225487 2.161244 4.822694 2.813929 3.946939 5.463112 1.094024 4.343905 5.440356 5.372219 5.414477 5.210142 7.465747 7.445421 4.262395 3.764116 2.456205 6.119253 0.000000 4.473656 5.285439 5.102364 6.163843 6.619744 4.089233 7.665209 7.427126 9.336519 2.929619 3.179488 2.182299 4.259453 3.503111 4.324917 4.103359 1.094968 5.510525 3.816330 6.764499 6.302051 5.769076 8.844671 8.497082 3.544814 2.630705 2.488908 4.747877 1.769693 0.000000 3.743258 4.305568 5.329164 4.743024 5.627850 3.439339 7.063944 6.832479 8.489849 2.917906 3.012035 2.190559 3.492439 2.803455 3.386136 4.357930 1.094107 5.238286 4.653920 6.396559 5.960619 4.596840 8.084877 7.739774 3.904559 2.334450 3.068599 4.794557 1.766576 1.777273 0.000000 2.450406 7.260189 7.269207 5.995281 4.720186 4.946618 3.273688 3.251457 5.304964 4.656623 6.158326 3.566640 6.257565 3.103415 4.122037 7.253152 4.471195 1.091937 7.431248 2.202822 2.182113 4.908377 4.619545 4.582079 4.668544 6.432198 3.001597 8.204971 4.115140 5.139298 5.226807 0.000000 6.707551 5.203810 2.730992 7.318192 7.440436 4.307814 9.333600 8.654096 10.737296 2.999305 2.788148 3.807220 4.213220 5.172177 5.383754 2.173914 4.128861 7.145570 1.093932 8.654572 7.296452 6.799969 10.561152 9.591910 2.660508 3.133979 3.784705 3.072488 5.036617 3.494726 4.590275 6.647400 0.000000 8.232066 5.467762 2.714327 8.172684 8.546675 5.294872 10.884302 10.120039 12.129684 4.276167 3.484975 5.333037 4.777509 6.595175 6.559719 2.168928 5.526183 8.777182 1.095315 10.302970 8.810032 7.836803 12.061635 10.948872 4.014521 3.783238 5.479844 2.505831 6.510081 4.857917 5.737977 8.350919 1.772198 0.000000 7.279098 5.056770 3.389318 7.513147 8.138398 4.844777 10.241683 9.645597 11.615762 3.709509 2.808649 4.412723 4.287382 5.759085 5.913415 2.172454 4.181192 8.098333 1.095090 9.558226 8.393461 7.269161 11.413716 10.545882 3.852691 2.607123 4.706402 2.481503 5.138552 3.411608 4.303140 7.705148 1.778035 1.768210 0.000000 3.703217 9.133512 9.544380 7.118807 5.597124 6.943551 2.096411 2.913124 4.170092 6.944565 8.415764 5.847484 8.278643 5.024488 5.847030 9.591718 6.590158 2.213542 9.858641 1.091649 2.942717 6.104652 3.126298 4.020510 7.005393 8.657114 5.414514 10.502286 6.028739 7.357665 7.200874 2.445462 9.090799 10.784370 10.114591 0.000000 2.738456 8.505547 9.465540 6.264562 5.230460 6.547960 2.102794 3.159472 4.146990 6.651416 7.962204 5.405604 7.742442 4.424994 5.288802 9.304035 5.850280 2.237155 9.656032 1.090229 3.372736 5.465539 2.972586 4.176605 6.988981 8.022231 5.249731 10.101660 5.175923 6.742835 6.267104 2.823968 9.022866 10.668908 9.760799 1.786914 0.000000 2.914181 5.659818 6.180545 4.082306 2.209635 3.535138 3.178458 2.090844 4.125244 4.071632 5.448479 3.798377 4.924867 2.710631 2.670849 6.526644 5.138968 2.248916 7.236897 3.385350 1.099021 2.842671 4.200300 2.920145 4.085331 6.037057 3.809838 7.355608 5.277196 5.956171 5.506948 2.823938 6.690208 8.090646 7.742077 4.003304 4.180678 0.000000 3.783831 7.360714 7.327275 5.861343 3.880347 5.109665 2.907930 2.092583 4.160064 5.293199 6.800262 4.825867 6.526327 4.032231 4.360945 7.743251 6.128427 2.190635 8.205059 2.917580 1.092891 4.634469 4.019165 3.118217 5.058465 7.386155 4.431738 8.683232 6.073905 6.829652 6.722818 2.406074 7.470168 8.998780 8.742401 3.024212 3.966787 1.811918 0.000000 7.916376 4.278600 0.967649 7.009298 7.200130 4.285855 10.119536 9.127972 10.984657 3.869634 3.218023 5.348625 3.801219 6.164546 5.688002 1.951603 6.064682 8.315141 2.598414 9.854995 7.936435 6.658761 11.173987 9.724171 3.451078 4.065791 5.626670 2.318006 7.106949 5.809754 6.167080 8.097115 2.989969 2.454135 3.588989 10.388670 10.375743 7.042182 8.103763 0.000000 4.974480 9.801531 11.205609 6.883485 5.552697 8.113531 2.131225 3.200189 2.170699 8.677768 9.938874 7.758640 9.306856 6.436605 6.761989 11.284009 8.421759 4.357430 11.920593 3.094453 4.456334 6.227273 1.079512 3.174913 8.977491 10.150312 7.754906 12.007030 7.919444 9.414529 8.637073 5.235439 11.364448 12.898085 12.157741 3.421295 3.080410 5.192267 4.936219 12.119035 0.000000 4.989556 7.359522 8.518103 4.873527 2.781304 5.848603 3.180680 2.115724 2.163364 6.802416 7.961995 6.642107 7.028684 5.304381 4.881183 9.029668 7.846496 4.305125 9.964669 4.424292 3.055743 4.011532 3.170364 1.077742 6.867968 8.560437 6.776264 9.706445 7.894463 8.771566 7.999420 5.181157 9.525717 10.768121 10.505627 4.941612 5.157554 2.996876 3.420014 9.332946 4.198106 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4933988 0.1260608 0.1140744</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.354045" y3="-0.768791" z3="-1.345356">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.525651" y3="2.160949" z3="-0.136888">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.750254" y3="-0.385087" z3="2.002195">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.243835" y3="2.84981" z3="-0.779395">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="0.916923" y3="2.070281" z3="1.009048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.926937" y3="0.489693" z3="0.480355">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.489708" y3="-0.711907" z3="-0.189144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.853383" y3="0.027033" z3="0.750738">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.695692" y3="1.08881" z3="0.193193">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.387763" y3="-0.925493" z3="0.339557">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.765183" y3="-0.381064" z3="-0.154197">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.325908" y3="-1.608225" z3="-0.568682">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.153364" y3="1.02324" z3="0.031961">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.217542" y3="-0.541146" z3="-0.574042">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.622968" y3="0.639423" z3="-0.047923">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-5.028152" y3="-0.705534" z3="0.635604">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.787807" y3="-1.992299" z3="-1.981541">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.324558" y3="-1.57566" z3="0.019867">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.459008" y3="-2.164516" z3="0.477039">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.730095" y3="-1.928246" z3="-0.525557">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.594358" y3="-0.598133" z3="1.18383">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.107084" y3="1.980282" z3="0.046564">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.606177" y3="-0.051045" z3="-0.509155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.593472" y3="1.114954" z3="0.956479">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.451072" y3="-1.40861" z3="1.3172">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.940554" y3="-0.569553" z3="-1.21816">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-0.979777" y3="-2.521149" z3="-0.069911">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.829098" y3="-0.05222" z3="0.256753">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-0.961768" y3="-2.442669" z3="-2.539952">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.603371" y3="-2.721998" z3="-1.942687">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.132379" y3="-1.119732" z3="-2.54571">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.804474" y3="-2.469672" z3="0.36273">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.670291" y3="-2.841904" z3="0.819458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.358631" y3="-2.364721" z3="1.068973">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.687702" y3="-2.39596" z3="-0.568283">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.171837" y3="-2.780409" z3="-0.004071">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.763565" y3="-2.095419" z3="-1.602305">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.848207" y3="0.190886" z3="1.302699">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.775391" y3="-1.126508" z3="2.124254">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.555206" y3="-0.548221" z3="2.512569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.311725" y3="-0.406233" z3="-1.244685">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="4.306028" y3="1.895962" z3="1.642781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.354,-.7688,-1.3454;-3.5257,2.1609,-.1369;-4.7503,-.3851,2.0022;-.2438,2.8498,-.7794;.9169,2.0703,1.009;-1.9269,.4897,.4804;4.4897,-.7119,-.1891;3.8534,.027,.7507;5.6957,1.0888,.1932;-2.3878,-.9255,.3396;-3.7652,-.3811,-.1542;-1.3259,-1.6082,-.5687;-3.1534,1.0232,.032;-.2175,-.5411,-.574;-.623,.6394,-.0479;-5.0282,-.7055,.6356;-1.7878,-1.9923,-1.9815;2.3246,-1.5757,.0199;-5.459,-2.1645,.477;3.7301,-1.9282,-.5256;2.5944,-.5981,1.1838;.1071,1.9803,.0466;5.6062,-.051,-.5092;4.5935,1.115,.9565;-2.4511,-1.4086,1.3172;-3.9406,-.5696,-1.2182;-.9798,-2.5211,-.0699;-5.8291,-.0522,.2568;-.9618,-2.4427,-2.54;-2.6034,-2.722,-1.9427;-2.1324,-1.1197,-2.5457;1.8045,-2.4697,.3627;-4.6703,-2.8419,.8195;-6.3586,-2.3647,1.069;-5.6877,-2.396,-.5683;4.1718,-2.7804,-.0041;3.7636,-2.0954,-1.6023;1.8482,.1909,1.3027;2.7754,-1.1265,2.1243;-5.5552,-.5482,2.5126;6.3117,-.4062,-1.2447;4.306,1.896,1.6428;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.818522 0.000000 6.972503 3.543674 0.000000 3.995974 3.414332 6.205612 0.000000 3.714111 4.588883 6.255563 2.270144 0.000000 3.960031 2.393736 3.324508 3.160690 3.296258 0.000000 3.342520 8.514811 9.501877 5.953205 4.684125 6.562423 0.000000 3.357623 7.732504 8.703939 5.205436 3.586695 5.805106 1.354370 0.000000 4.966660 9.289327 10.703395 6.270967 4.946265 7.651528 2.200719 2.198257 0.000000 4.106655 3.323840 2.939008 4.483458 4.510413 1.494970 6.901068 6.326790 8.331932 0.000000 5.270265 2.553333 2.370740 4.819680 5.411502 2.130733 8.261592 7.682968 9.580677 1.561244 0.000000 2.913765 4.385429 4.453271 4.592315 4.588129 2.421358 5.896510 5.589275 7.560247 1.555171 2.761844 0.000000 5.042332 1.208920 2.900907 3.529875 4.314884 1.410621 7.840674 7.113618 8.850768 2.116204 1.543065 3.259597 0.000000 1.765399 4.293717 5.216017 3.397270 3.257719 2.257524 4.726045 4.318599 6.181565 2.385843 3.575983 1.538559 3.381360 0.000000 2.752268 3.278494 4.720921 2.358942 2.352829 1.414861 5.290131 4.588093 6.339207 2.390315 3.305481 2.411895 2.560586 1.354590 0.000000 6.682862 3.327308 1.430904 6.126368 6.571798 3.327191 9.553528 8.912439 10.881922 2.666023 1.524518 3.996469 2.620663 4.963087 4.656368 0.000000 3.431172 4.865420 5.218177 5.222550 5.723962 3.498653 6.652765 6.585292 8.380064 2.624027 3.137718 1.535263 3.874585 2.559811 3.467231 4.359477 0.000000 1.859238 6.943469 7.443121 5.178827 4.031476 4.748994 2.340434 2.332403 4.300465 4.767692 6.208245 3.697750 6.063172 2.808063 3.687695 7.429575 4.592469 0.000000 7.189358 4.777491 2.448429 7.343032 7.672616 4.418185 10.076250 9.570706 11.622910 3.314608 2.539331 4.299477 3.959278 5.586866 5.614708 1.529513 4.421763 7.819185 0.000000 2.768035 8.337771 8.982605 6.219837 5.124175 6.233803 1.472979 2.338214 3.671894 6.259562 7.662302 5.066305 7.510266 4.184523 5.076437 8.919092 5.707122 1.548334 9.246655 0.000000 2.822105 6.841881 7.393134 4.878309 3.156703 4.703227 2.343150 1.470900 3.666799 5.063742 6.502399 4.411357 6.082101 3.316646 3.660593 7.642954 5.582709 1.543749 8.234671 2.445629 0.000000 3.324117 3.641848 5.745712 1.249572 1.261077 2.558764 5.148866 4.283199 5.661162 3.841046 4.539903 3.912720 3.398038 2.616894 1.529643 5.825052 4.846155 4.190779 6.953132 5.360048 3.758740 0.000000 4.392609 9.403285 10.661807 6.535337 5.366010 7.617042 1.336281 2.160026 1.341856 8.086287 9.383885 7.105080 8.841744 5.844665 6.284244 10.715772 7.785075 3.656958 11.308300 2.654022 3.498079 5.888559 0.000000 4.397820 8.258916 9.520969 5.424252 3.799003 6.567600 2.158852 1.331779 1.340962 7.299428 8.563807 6.691852 7.802346 5.313286 5.333497 9.797590 7.681647 3.642063 10.584760 3.493268 2.642502 4.658799 2.129133 0.000000 4.688016 4.001355 2.608267 5.234669 4.851911 2.139762 7.136448 6.490617 8.594782 1.092335 2.224354 2.205083 2.838829 3.052532 3.065936 2.756851 3.415012 4.951527 3.213245 6.470904 5.111852 4.432074 8.372444 7.491602 0.000000 5.299873 2.965963 3.325707 5.054729 5.960223 2.839297 8.494024 8.060888 9.879237 2.228079 1.094668 2.887392 2.172432 3.778427 3.719873 2.153555 2.690961 6.465028 2.779084 7.820780 6.962430 4.948187 9.587054 8.966393 3.057879 0.000000 3.185003 5.329915 4.803424 5.467374 5.083586 3.203915 5.762190 5.525045 7.593610 2.167073 3.513624 1.096362 4.159032 2.180725 3.180724 4.492610 2.141711 3.438115 4.526572 4.768862 4.247857 4.632247 7.047633 6.733188 2.307927 3.727385 0.000000 7.394442 3.218531 2.078767 6.378914 7.111945 3.945951 10.349481 9.695398 11.581312 3.551373 2.129968 4.835412 2.892525 5.693754 5.260702 1.100845 5.010578 8.298137 2.155757 9.772904 8.491884 6.278018 11.460895 10.511036 3.791490 2.451448 5.451443 0.000000 3.097082 5.791503 6.262378 5.623640 6.040828 4.318860 6.183884 6.333541 8.016433 3.553430 4.219144 2.171359 4.840492 2.834513 3.977975 5.444013 1.094074 4.254916 5.422617 5.131860 5.469451 5.234024 7.278866 7.466083 4.262034 3.758838 2.471354 6.101369 0.000000 4.453422 5.287219 5.062841 6.161631 6.638610 4.079663 7.578070 7.516739 9.378629 2.912483 3.166777 2.181809 4.269489 3.510197 4.337197 4.073485 1.095040 5.426802 3.784247 6.538431 6.426685 5.780581 8.751324 8.655744 3.517818 2.635530 2.486702 4.729753 1.769071 0.000000 3.703939 4.301918 5.298718 4.737481 5.666633 3.433588 7.040721 6.928996 8.582421 2.903053 2.988480 2.190356 3.504159 2.808707 3.407622 4.321784 1.094710 5.162784 4.614656 6.253264 6.043473 4.620083 8.073096 7.905454 3.886784 2.309672 3.069534 4.760159 1.766501 1.775592 0.000000 2.452231 7.078311 7.070912 5.813510 4.670829 4.763938 3.256498 3.253016 5.275710 4.467648 5.970810 3.377708 6.073714 2.947083 3.965801 7.061970 4.316014 1.089632 7.270788 2.188655 2.191067 4.773173 4.589431 4.580457 4.488490 6.254199 2.818134 8.007916 4.009786 4.980734 5.077417 0.000000 6.728807 5.220473 2.727859 7.385489 7.441940 4.329032 9.458316 8.993805 11.103888 3.018753 2.796955 3.825414 4.226175 5.202144 5.408587 2.173924 4.108057 7.153365 1.094614 8.556303 7.611990 6.831849 10.731258 10.074364 2.688310 3.138149 3.809692 3.072752 5.019778 3.451953 4.553156 6.501518 0.000000 8.237800 5.473716 2.716014 8.246122 8.520946 5.304155 11.045411 10.493187 12.569828 4.286166 3.486690 5.346260 4.777804 6.613463 6.570401 2.170457 5.507882 8.781856 1.095349 10.223279 9.126337 7.856834 12.288214 11.492143 4.030481 3.781627 5.500327 2.507542 6.492808 4.826979 5.698872 8.194271 1.772132 0.000000 7.268957 5.062212 3.395553 7.562960 8.127506 4.854893 10.322764 9.931919 11.929172 3.725057 2.815555 4.432355 4.298150 5.776073 5.927551 2.177588 4.167663 8.075588 1.094790 9.429501 8.654166 7.287598 11.534896 10.970595 3.873716 2.609718 4.735885 2.488733 5.120949 3.392402 4.263719 7.550160 1.777587 1.769669 0.000000 3.712897 9.148004 9.453380 7.197128 5.928750 6.937095 2.100951 2.924531 4.163160 6.825478 8.293111 5.649603 8.253946 4.960425 5.889595 9.452730 6.328418 2.205546 9.662504 1.092367 2.943107 6.260109 3.124398 4.034140 6.891337 8.495457 5.158554 10.369655 5.735736 7.047346 6.997208 2.415680 8.880609 10.593157 9.883150 0.000000 2.762562 8.567192 9.402275 6.418078 5.681161 6.588026 2.106755 3.170124 4.134761 6.555791 7.856085 5.216174 7.761493 4.395714 5.397882 9.177925 5.565266 2.229873 9.454327 1.090162 3.372159 5.718388 2.961362 4.188391 6.900502 7.863160 5.002876 9.982481 4.829962 6.406741 6.050135 2.799904 8.806367 10.472206 9.512412 1.786127 0.000000 2.859610 5.901856 6.660385 3.972610 2.117935 3.875210 3.165147 2.086202 4.103707 4.485241 5.827506 4.100473 5.227170 2.885368 2.851678 6.966556 5.364059 2.234559 7.721724 3.372646 1.092439 2.794874 4.178957 2.917233 4.587200 6.359461 4.151709 7.752040 5.440362 6.231691 5.689731 2.822060 7.205703 8.598718 8.184270 3.991929 4.163513 0.000000 3.766480 7.458100 7.563064 5.775639 3.862259 5.237022 2.909051 2.092669 4.143040 5.466599 6.966071 4.929971 6.644490 4.071989 4.402920 7.955412 6.199188 2.198507 8.461449 2.928437 1.093777 4.592254 4.013079 3.113401 5.295927 7.522356 4.567348 8.870112 6.119923 6.929407 6.774571 2.418623 7.751339 9.277777 8.971355 3.035658 3.975238 1.808355 0.000000 7.916438 4.298641 0.966975 7.112967 7.141819 4.286198 10.403189 9.589395 11.603537 3.859664 3.216172 5.338977 3.793646 6.165864 5.682745 1.955897 6.039510 8.328257 2.600971 9.866686 8.257326 6.673533 11.573870 10.401116 3.435815 4.065205 5.612147 2.325885 7.086366 5.769571 6.134212 7.904345 2.985077 2.455430 3.594906 10.292304 10.303664 7.537943 8.359668 0.000000 4.971938 10.227003 11.528662 7.334417 6.349514 8.464868 2.127757 3.195760 2.163827 8.857796 10.135772 7.761134 9.657180 6.565005 7.114464 11.498603 8.286192 4.343289 12.025225 3.081960 4.444472 6.772026 1.079334 3.179863 9.184478 10.253614 7.682380 12.238432 7.663451 9.237364 8.573484 5.211225 11.436689 13.027916 12.182068 3.428549 3.078045 5.173848 4.937023 12.448340 0.000000 4.974341 8.035709 9.346048 5.241947 3.452251 6.494511 3.192282 2.119793 2.164247 7.380097 8.576621 6.992038 7.681075 5.596113 5.360258 9.742130 8.086353 4.314190 10.639660 4.433729 3.059569 4.492899 3.179945 1.078706 7.528918 9.070273 7.098163 10.413321 8.004289 9.051017 8.251723 5.191826 10.183297 11.498592 11.098830 4.959695 5.172618 3.010618 3.421986 10.196788 4.202426 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5100230 0.1192241 0.1078470</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.366202" y3="-0.927027" z3="-1.461305">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.369779" y3="2.186138" z3="-0.171798">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.62046" y3="-0.29826" z3="2.045996">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.082918" y3="2.758315" z3="-0.875694">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="1.174493" y3="1.912648" z3="0.812543">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.815748" y3="0.469099" z3="0.438219">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.412437" y3="-0.607555" z3="-0.144173">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.652485" y3="0.010926" z3="0.791338">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.379016" y3="1.295025" z3="0.369646">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.329841" y3="-0.931484" z3="0.331353">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.699174" y3="-0.345575" z3="-0.136758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.315106" y3="-1.665944" z3="-0.591242">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.035379" y3="1.040064" z3="0.019349">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.172788" y3="-0.633981" z3="-0.649527">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.519548" y3="0.565972" z3="-0.119962">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.949694" y3="-0.617346" z3="0.689226">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.83028" y3="-2.061249" z3="-1.98353">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.351482" y3="-1.709607" z3="-0.092608">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.441627" y3="-2.060143" z3="0.554915">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.813704" y3="-1.883494" z3="-0.570079">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.45543" y3="-0.773114" z3="1.131216">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.26621" y3="1.877036" z3="-0.061068">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.45387" y3="0.189206" z3="-0.381859">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.251671" y3="1.162695" z3="1.081133">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.385824" y3="-1.398781" z3="1.316977">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.909718" y3="-0.54042" z3="-1.193107">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-0.986968" y3="-2.581156" z3="-0.084457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.73428" y3="0.063627" z3="0.32526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-1.036098" y3="-2.545501" z3="-2.559604">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.665771" y3="-2.765092" z3="-1.907282">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.166354" y3="-1.188447" z3="-2.552635">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.913501" y3="-2.66986" z3="0.17484">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.67084" y3="-2.764944" z3="0.883144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.332005" y3="-2.219567" z3="1.172675">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.70672" y3="-2.291691" z3="-0.481642">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.316688" y3="-2.706029" z3="-0.056122">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.918982" y3="-2.001659" z3="-1.648475">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.6168" y3="-0.083037" z3="1.248408">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.655615" y3="-1.328625" z3="2.052503">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.414761" y3="-0.429877" z3="2.581028">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.229323" y3="-0.046145" z3="-1.094723">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.846272" y3="1.87406" z3="1.784082">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3662,-.927,-1.4613;-3.3698,2.1861,-.1718;-4.6205,-.2983,2.046;-.0829,2.7583,-.8757;1.1745,1.9126,.8125;-1.8157,.4691,.4382;4.4124,-.6076,-.1442;3.6525,.0109,.7913;5.379,1.295,.3696;-2.3298,-.9315,.3314;-3.6992,-.3456,-.1368;-1.3151,-1.6659,-.5912;-3.0354,1.0401,.0193;-.1728,-.634,-.6495;-.5195,.566,-.12;-4.9497,-.6173,.6892;-1.8303,-2.0612,-1.9835;2.3515,-1.7096,-.0926;-5.4416,-2.0601,.5549;3.8137,-1.8835,-.5701;2.4554,-.7731,1.1312;.2662,1.877,-.0611;5.4539,.1892,-.3819;4.2517,1.1627,1.0811;-2.3858,-1.3988,1.317;-3.9097,-.5404,-1.1931;-.987,-2.5812,-.0845;-5.7343,.0636,.3253;-1.0361,-2.5455,-2.5596;-2.6658,-2.7651,-1.9073;-2.1664,-1.1884,-2.5526;1.9135,-2.6699,.1748;-4.6708,-2.7649,.8831;-6.332,-2.2196,1.1727;-5.7067,-2.2917,-.4816;4.3167,-2.706,-.0561;3.919,-2.0017,-1.6485;1.6168,-.083,1.2484;2.6556,-1.3286,2.0525;-5.4148,-.4299,2.581;6.2293,-.0461,-1.0947;3.8463,1.8741,1.7841;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.812412 0.000000 6.966823 3.557393 0.000000 4.003077 3.409738 6.202274 0.000000 3.642923 4.657696 6.323844 2.268563 0.000000 3.960071 2.394860 3.322679 3.157464 3.341481 0.000000 3.334134 8.268516 9.299771 5.663251 4.213194 6.347334 0.000000 3.343837 7.414268 8.373254 4.927512 3.123689 5.498744 1.354706 0.000000 4.938884 8.810712 10.263441 5.790061 4.272660 7.242340 2.195016 2.192633 0.000000 4.107843 3.324786 2.930514 4.485559 4.538831 1.495776 6.766784 6.073545 8.024044 0.000000 5.267878 2.553292 2.369688 4.822599 5.454665 2.131100 8.115844 7.418581 9.239131 1.561247 0.000000 2.914175 4.385904 4.444205 4.601442 4.579851 2.422570 5.841644 5.422212 7.382541 1.555732 2.762917 0.000000 5.043381 1.209068 2.900154 3.531361 4.371909 1.410303 7.629636 6.810479 8.425542 2.117105 1.544341 3.264145 0.000000 1.764468 4.289761 5.211559 3.401014 3.230810 2.258163 4.613064 4.138201 5.965090 2.388203 3.575124 1.540531 3.382936 0.000000 2.753960 3.278939 4.717600 2.359692 2.356454 1.414597 5.069736 4.306321 5.963580 2.392325 3.307752 2.415878 2.563899 1.356676 0.000000 6.679163 3.331219 1.432144 6.126139 6.627348 3.326407 9.399157 8.625696 10.509117 2.662778 1.523125 3.993669 2.619227 4.960985 4.656310 0.000000 3.431716 4.867518 5.208677 5.244881 5.713015 3.502534 6.668431 6.484945 8.293127 2.623854 3.137972 1.536273 3.883546 2.562018 3.477527 4.354219 0.000000 1.859178 6.922134 7.427888 5.147995 3.914758 4.732267 2.337672 2.331138 4.290391 4.764452 6.202659 3.700596 6.049091 2.799834 3.663581 7.423710 4.602866 0.000000 7.189967 4.780332 2.449872 7.347104 7.721560 4.422407 9.985054 9.329957 11.330392 3.317689 2.540531 4.300842 3.960826 5.589748 5.619502 1.530261 4.414242 7.827816 0.000000 2.774776 8.265770 8.971730 6.068232 4.825739 6.184018 1.472378 2.338434 3.665551 6.281882 7.680904 5.133465 7.470244 4.178481 4.997955 8.943496 5.820996 1.548000 9.325125 0.000000 2.816251 6.662438 7.150562 4.789769 2.992602 4.501811 2.341773 1.470774 3.661221 4.854244 6.298389 4.240395 5.888366 3.177724 3.494151 7.419938 5.452361 1.544529 8.021975 2.443819 0.000000 3.321658 3.650783 5.749015 1.249863 1.260732 2.562444 4.834387 3.959270 5.163820 3.844640 4.546427 3.915910 3.406975 2.616144 1.529632 5.830140 4.858108 4.148900 6.961337 5.194746 3.638340 0.000000 4.372666 9.049234 10.374210 6.123742 4.765492 7.321080 1.332631 2.157119 1.339104 7.896250 9.171929 7.021713 8.541210 5.692851 5.991015 10.489609 7.790297 3.648831 11.164630 2.649840 3.493722 5.464750 0.000000 4.376855 7.791263 9.043233 5.016357 3.178615 6.140683 2.158936 1.330254 1.339638 6.947234 8.183769 6.464290 7.365021 5.079278 4.956132 9.380153 7.534992 3.638476 10.228569 3.492503 2.641277 4.206996 2.129157 0.000000 4.692452 4.004531 2.595422 5.233797 4.888341 2.141537 6.998382 6.222921 8.273256 1.092225 2.224293 2.204340 2.837909 3.057710 3.067252 2.752842 3.411868 4.952335 3.218084 6.498467 4.885050 4.434329 8.177319 7.118506 0.000000 5.296860 2.961203 3.324994 5.062292 5.990774 2.839905 8.388267 7.837660 9.596438 2.230005 1.094607 2.891549 2.175419 3.777417 3.724110 2.151894 2.694764 6.463801 2.777028 7.864048 6.780246 4.956205 9.426943 8.641819 3.059340 0.000000 3.188928 5.330339 4.790899 5.472962 5.066636 3.203767 5.749108 5.386134 7.467044 2.167400 3.515198 1.096412 4.161731 2.184877 3.181848 4.489803 2.141951 3.450350 4.530368 4.875347 4.073940 4.631034 7.017674 6.543574 2.306258 3.733119 0.000000 7.388508 3.216051 2.081463 6.375071 7.168506 3.941074 10.179721 9.398477 11.181398 3.546899 2.126632 4.833270 2.886361 5.689206 5.257757 1.100805 5.008675 8.288458 2.156105 9.785546 8.271702 6.280412 11.211177 10.074648 3.786067 2.449354 5.449745 0.000000 3.097864 5.791036 6.253743 5.645757 6.011088 4.322339 6.267094 6.304517 8.030182 3.554779 4.219222 2.173917 4.848134 2.836830 3.987473 5.439569 1.094115 4.273229 5.417055 5.283657 5.380918 5.243807 7.371626 7.413918 4.261996 3.761032 2.475891 6.099419 0.000000 4.453559 5.293601 5.053165 6.184119 6.635234 4.084594 7.606875 7.410074 9.294491 2.913152 3.171236 2.182747 4.281090 3.512627 4.347042 4.070745 1.095105 5.438743 3.776869 6.674498 6.279104 5.792613 8.774016 8.497597 3.512979 2.647002 2.484935 4.733037 1.769062 0.000000 3.706520 4.301679 5.287955 4.767574 5.665904 3.437382 7.029837 6.817591 8.464040 2.900024 2.982688 2.190819 3.512345 2.811327 3.421674 4.310777 1.094811 5.170511 4.598274 6.338352 5.924875 4.639230 8.042264 7.741007 3.881534 2.303817 3.069608 4.751848 1.766105 1.775305 0.000000 2.452340 7.184283 7.198497 5.878298 4.685314 4.881570 3.255695 3.254343 5.269540 4.588289 6.082886 3.466789 6.187012 3.029353 4.059216 7.181981 4.364041 1.088779 7.390136 2.187246 2.192256 4.841847 4.584581 4.580053 4.626479 6.349462 2.913387 8.123000 4.024025 5.031305 5.126297 0.000000 6.732032 5.226746 2.727507 7.392491 7.486840 4.336882 9.392318 8.774487 10.851112 3.024289 2.799586 3.826561 4.230716 5.207933 5.416128 2.174290 4.096558 7.167904 1.094801 8.653109 7.403557 6.842074 10.622476 9.750731 2.697390 3.136659 3.813259 3.072939 5.011190 3.436099 4.534575 6.623012 0.000000 8.238379 5.476552 2.717258 8.247800 8.576270 5.307063 10.944208 10.237702 12.253375 4.287691 3.486869 5.346698 4.777352 6.615925 6.573795 2.170625 5.500202 8.789991 1.095361 10.299783 8.905782 7.863886 12.129534 11.111358 4.033218 3.779409 5.502776 2.507660 6.487124 4.819232 5.682762 8.317860 1.772211 0.000000 7.269681 5.060460 3.397452 7.568684 8.167158 4.858783 10.263895 9.721998 11.682584 3.730206 2.817189 4.437324 4.299726 5.779325 5.933279 2.178864 4.163599 8.088559 1.094687 9.529581 8.457428 7.295961 11.433441 10.655731 3.880808 2.608131 4.745272 2.489854 5.118306 3.391744 4.247393 7.657790 1.777542 1.770014 0.000000 3.720854 9.111995 9.491516 7.063093 5.653330 6.923336 2.102502 2.922533 4.161521 6.890246 8.356571 5.751976 8.251776 4.980050 5.839455 9.528062 6.474245 2.203683 9.798736 1.092570 2.934316 6.116444 3.127566 4.032940 6.965484 8.582328 5.305202 10.432565 5.911472 7.223920 7.110940 2.414531 9.036667 10.730389 10.040988 0.000000 2.776068 8.534885 9.459004 6.266557 5.376860 6.583773 2.109490 3.173989 4.131905 6.641745 7.941297 5.350338 7.771541 4.428433 5.350666 9.275483 5.759325 2.227795 9.616618 1.089947 3.373127 5.559396 2.959744 4.192204 6.993422 7.976912 5.181729 10.067100 5.067419 6.633912 6.205654 2.791581 8.987589 10.634336 9.700503 1.786027 0.000000 2.849151 5.659691 6.291731 3.933717 2.090064 3.569824 3.167016 2.088482 4.101896 4.139665 5.499744 3.806045 4.941124 2.666143 2.618707 6.611884 5.122607 2.232446 7.362830 3.372673 1.092356 2.716746 4.177917 2.919311 4.213892 6.059091 3.846653 7.410269 5.253813 5.957534 5.475592 2.816422 6.845470 8.231281 7.842523 3.983878 4.168103 0.000000 3.764401 7.321643 7.348671 5.725118 3.773204 5.082402 2.903747 2.092530 4.139137 5.289126 6.792834 4.782238 6.490903 3.972828 4.288445 7.759199 6.078614 2.199805 8.266996 2.920099 1.094274 4.522467 4.007512 3.114102 5.095295 7.366060 4.404979 8.678253 6.031671 6.786787 6.669208 2.423894 7.556941 9.074425 8.790793 3.017068 3.968161 1.810303 0.000000 7.910061 4.313182 0.966693 7.109293 7.213406 4.284003 10.199613 9.252688 11.152180 3.850893 3.215075 5.329009 3.792675 6.160879 5.678923 1.957127 6.028687 8.312675 2.600697 9.859362 8.009974 6.676522 11.282247 9.910897 3.422142 4.064661 5.598049 2.331122 7.076345 5.758046 6.122260 8.031854 2.981403 2.455154 3.596045 10.336175 10.367157 7.165125 8.137448 0.000000 4.955833 9.898365 11.298029 6.910669 5.746811 8.206007 2.125982 3.193834 2.160124 8.722201 9.979098 7.732764 9.394451 6.444437 6.846320 11.334865 8.355107 4.336933 11.957782 3.079986 4.441345 6.350259 1.079301 3.179111 9.048021 10.151558 7.715036 12.048079 7.821700 9.336789 8.597544 5.207877 11.406900 12.948042 12.160899 3.436836 3.077068 5.173683 4.931649 12.216508 0.000000 4.952714 7.482930 8.744891 4.826473 2.843198 5.986963 3.193294 2.119991 2.164536 6.937281 8.096305 6.694297 7.153108 5.325933 4.939318 9.207325 7.867960 4.312660 10.161391 4.434224 3.060752 4.027584 3.180316 1.079133 7.054693 8.651517 6.833784 9.858641 7.889085 8.806509 8.021081 5.193503 9.740290 10.987671 10.665207 4.958313 5.177734 3.014585 3.427376 9.576532 4.201624 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5039385 0.1248229 0.1127753</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.361976" y3="-0.90103" z3="-1.406128">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.427486" y3="2.179493" z3="-0.165085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.668186" y3="-0.32266" z3="2.028998">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.149318" y3="2.790454" z3="-0.811694">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="1.111974" y3="1.939387" z3="0.870426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.861111" y3="0.474223" z3="0.448034">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.448482" y3="-0.63673" z3="-0.162457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.732763" y3="0.019149" z3="0.780913">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.485858" y3="1.249048" z3="0.286848">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.360996" y3="-0.929465" z3="0.32709">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.731303" y3="-0.354749" z3="-0.14817">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.334485" y3="-1.650651" z3="-0.592412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.081167" y3="1.035069" z3="0.011843">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.195335" y3="-0.616033" z3="-0.619841">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.557338" y3="0.580728" z3="-0.093781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.98482" y3="-0.643667" z3="0.670924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.824535" y3="-2.031532" z3="-1.997263">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.35622" y3="-1.674976" z3="-0.034288">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.455662" y3="-2.091485" z3="0.530111">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.798918" y3="-1.903602" z3="-0.546356">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.523548" y3="-0.724082" z3="1.170223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.211583" y3="1.901784" z3="-0.012022">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.508942" y3="0.12594" z3="-0.441969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.3722" y3="1.160444" z3="1.029156">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.422342" y3="-1.402806" z3="1.309175">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.931743" y3="-0.54797" z3="-1.206386">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-1.008098" y3="-2.569351" z3="-0.091497">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.776152" y3="0.028012" z3="0.303574">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-1.015952" y3="-2.50378" z3="-2.56301">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.656145" y3="-2.741938" z3="-1.94333">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.155228" y3="-1.154188" z3="-2.562209">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.89513" y3="-2.615188" z3="0.265968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.677929" y3="-2.787579" z3="0.859954">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.348377" y3="-2.263734" z3="1.140899">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.71203" y3="-2.321111" z3="-0.509023">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.29419" y3="-2.727609" z3="-0.02808">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.875831" y3="-2.044581" z3="-1.624458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.71168" y3="-0.003802" z3="1.302353">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.734282" y3="-1.269816" z3="2.094422">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.463743" y3="-0.466279" z3="2.559483">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.255298" y3="-0.150108" z3="-1.17141">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="4.003104" y3="1.89597" z3="1.726674">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.362,-.901,-1.4061;-3.4275,2.1795,-.1651;-4.6682,-.3227,2.029;-.1493,2.7905,-.8117;1.112,1.9394,.8704;-1.8611,.4742,.448;4.4485,-.6367,-.1625;3.7328,.0191,.7809;5.4859,1.249,.2868;-2.361,-.9295,.3271;-3.7313,-.3547,-.1482;-1.3345,-1.6507,-.5924;-3.0812,1.0351,.0118;-.1953,-.616,-.6198;-.5573,.5807,-.0938;-4.9848,-.6437,.6709;-1.8245,-2.0315,-1.9973;2.3562,-1.675,-.0343;-5.4557,-2.0915,.5301;3.7989,-1.9036,-.5464;2.5235,-.7241,1.1702;.2116,1.9018,-.012;5.5089,.1259,-.442;4.3722,1.1604,1.0292;-2.4223,-1.4028,1.3092;-3.9317,-.548,-1.2064;-1.0081,-2.5694,-.0915;-5.7762,.028,.3036;-1.016,-2.5038,-2.563;-2.6561,-2.7419,-1.9433;-2.1552,-1.1542,-2.5622;1.8951,-2.6152,.266;-4.6779,-2.7876,.86;-6.3484,-2.2637,1.1409;-5.712,-2.3211,-.509;4.2942,-2.7276,-.0281;3.8758,-2.0446,-1.6245;1.7117,-.0038,1.3024;2.7343,-1.2698,2.0944;-5.4637,-.4663,2.5595;6.2553,-.1501,-1.1714;4.0031,1.896,1.7267;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.828272 0.000000 6.964011 3.551635 0.000000 4.032916 3.396729 6.179092 0.000000 3.648722 4.662256 6.314221 2.268193 0.000000 3.964534 2.395286 3.318755 3.143577 3.341310 0.000000 3.338128 8.364329 9.381618 5.771209 4.339990 6.435673 0.000000 3.354179 7.538646 8.500029 5.028626 3.250210 5.622218 1.353653 0.000000 4.949284 8.973164 10.421610 5.944571 4.466318 7.389471 2.198677 2.197747 0.000000 4.106747 3.323441 2.930500 4.475058 4.537294 1.494942 6.833326 6.183828 8.143749 0.000000 5.274691 2.552444 2.370409 4.812814 5.455082 2.130791 8.184657 7.530955 9.365760 1.560100 0.000000 2.914613 4.385574 4.443974 4.601752 4.584040 2.423829 5.886902 5.509198 7.463138 1.555415 2.760697 0.000000 5.049815 1.208697 2.903614 3.515015 4.374629 1.411860 7.714979 6.932042 8.574108 2.115991 1.542684 3.260231 0.000000 1.767679 4.297508 5.206612 3.412195 3.234211 2.259165 4.666333 4.218474 6.047856 2.384325 3.576844 1.539107 3.384256 0.000000 2.757105 3.286166 4.713955 2.358976 2.358442 1.415885 5.152199 4.414230 6.091941 2.389769 3.309400 2.414879 2.566572 1.356474 0.000000 6.682978 3.330831 1.430967 6.113381 6.624414 3.325194 9.470046 8.743437 10.647299 2.661646 1.525023 3.991864 2.622296 4.960444 4.656878 0.000000 3.432393 4.864058 5.217027 5.240560 5.710947 3.501374 6.683018 6.542715 8.331939 2.627728 3.141100 1.535847 3.875522 2.560317 3.471733 4.362659 0.000000 1.862649 6.951640 7.445011 5.179010 3.928139 4.757896 2.339219 2.330125 4.295076 4.789416 6.230081 3.732747 6.075496 2.823945 3.685181 7.446596 4.632399 0.000000 7.186542 4.778917 2.448576 7.334239 7.713467 4.417057 10.034343 9.431057 11.442692 3.311868 2.539632 4.294006 3.960072 5.583045 5.614583 1.528953 4.424510 7.843311 0.000000 2.771831 8.308908 8.990199 6.139473 4.898521 6.219227 1.474543 2.337304 3.671403 6.297332 7.698164 5.139838 7.502196 4.197295 5.035244 8.956744 5.809021 1.547857 9.318869 0.000000 2.831634 6.754895 7.253942 4.839852 3.029271 4.602470 2.342870 1.471787 3.667270 4.961031 6.402947 4.341640 5.987427 3.257043 3.576604 7.525381 5.536084 1.543712 8.120796 2.442229 0.000000 3.335071 3.652859 5.738123 1.248783 1.261282 2.558446 4.941457 4.070844 5.322909 3.840459 4.544978 3.917521 3.404991 2.621912 1.530723 5.826521 4.853651 4.170512 6.953975 5.256942 3.692974 0.000000 4.379681 9.173522 10.482407 6.265160 4.933995 7.431762 1.335802 2.159087 1.339059 7.977547 9.257403 7.071875 8.649996 5.755079 6.093260 10.580637 7.800866 3.653650 11.228734 2.655960 3.497753 5.603614 0.000000 4.386540 7.956116 9.215631 5.146823 3.355745 6.297839 2.157682 1.331562 1.341307 7.084952 8.327585 6.564906 7.523518 5.170825 5.088949 9.536088 7.599174 3.637952 10.363926 3.492745 2.643643 4.352513 2.127578 0.000000 4.684625 4.002078 2.593969 5.219977 4.884070 2.140042 7.068295 6.339270 8.403399 1.091928 2.221634 2.204743 2.839077 3.049537 3.062831 2.747718 3.418362 4.971280 3.206595 6.511364 4.994177 4.427577 8.264916 7.267356 0.000000 5.309238 2.962707 3.325781 5.060395 5.994929 2.840687 8.445463 7.938239 9.703104 2.228079 1.094226 2.887666 2.171077 3.782779 3.728064 2.154628 2.695694 6.494801 2.778523 7.876325 6.881139 4.959330 9.495527 8.767656 3.055665 0.000000 3.182578 5.330138 4.789610 5.475737 5.074319 3.206566 5.789156 5.471490 7.542863 2.166743 3.510487 1.096109 4.159343 2.180638 3.182167 4.483733 2.141907 3.481640 4.516146 4.874169 4.179651 4.635190 7.061108 6.641900 2.307118 3.725139 0.000000 7.398586 3.219432 2.080300 6.366803 7.170841 3.943035 10.256813 9.520894 11.328022 3.546916 2.128847 4.832091 2.891750 5.693243 5.263023 1.101048 5.015062 8.315636 2.155528 9.804871 8.378649 6.282006 11.310119 10.237086 3.782396 2.452260 5.443962 0.000000 3.092204 5.787796 6.259603 5.643322 6.004855 4.318470 6.253685 6.332242 8.029879 3.555318 4.221720 2.170841 4.839259 2.830709 3.977639 5.447042 1.094027 4.295684 5.426638 5.254530 5.443567 5.236733 7.347686 7.440590 4.264257 3.763969 2.472395 6.106290 0.000000 4.452282 5.289386 5.067603 6.178361 6.635566 4.085877 7.620967 7.474172 9.337766 2.920099 3.174466 2.182354 4.274240 3.510937 4.343493 4.081641 1.095062 5.468697 3.791872 6.657490 6.371434 5.789470 8.783362 8.570991 3.525156 2.642675 2.484981 4.738739 1.769450 0.000000 3.710974 4.298636 5.299583 4.759011 5.659310 3.435082 7.045251 6.871799 8.501698 2.905320 2.991772 2.190934 3.503706 2.811332 3.414136 4.326705 1.094647 5.197573 4.618856 6.330650 6.000582 4.630789 8.054418 7.801457 3.888544 2.315548 3.069692 4.766697 1.766167 1.776197 0.000000 2.453263 7.176700 7.172243 5.878953 4.660779 4.866924 3.258444 3.252968 5.275044 4.578210 6.077651 3.478155 6.176770 3.025115 4.044490 7.168305 4.393037 1.089384 7.374156 2.188752 2.188349 4.828524 4.590708 4.579709 4.604206 6.355601 2.925511 8.113969 4.060779 5.060747 5.151553 0.000000 6.721208 5.223611 2.728109 7.376800 7.474442 4.329375 9.432012 8.867001 10.951044 3.017401 2.798406 3.818453 4.228661 5.196061 5.406881 2.173999 4.108181 7.177521 1.094629 8.638058 7.497703 6.830651 10.675014 9.875239 2.684598 3.137260 3.797438 3.072980 5.020687 3.456602 4.554468 6.602093 0.000000 8.233702 5.475350 2.716528 8.233211 8.567158 5.302077 10.996274 10.342656 12.374092 4.282729 3.486402 5.340350 4.778235 6.608710 6.568982 2.169050 5.510637 8.803278 1.095295 10.292916 9.004579 7.855815 12.198853 11.254699 4.022843 3.780702 5.489151 2.506123 6.497023 4.834638 5.703209 8.297254 1.773060 0.000000 7.270693 5.058940 3.394844 7.560653 8.162214 4.853805 10.305011 9.815542 11.780158 3.723599 2.814263 4.429375 4.296124 5.775249 5.929919 2.175989 4.172688 8.107991 1.094646 9.520180 8.555414 7.291710 11.484893 10.778632 3.869260 2.607636 4.728945 2.486525 5.128876 3.401877 4.269440 7.652187 1.777936 1.769314 0.000000 3.719313 9.150012 9.504711 7.127961 5.719673 6.954577 2.100866 2.917936 4.163298 6.902968 8.369793 5.758498 8.279809 4.996476 5.872541 9.535799 6.465370 2.205403 9.786514 1.092196 2.930056 6.172456 3.128845 4.029986 6.975325 8.590996 5.305029 10.445824 5.888428 7.209407 7.105804 2.419627 9.016159 10.716619 10.026015 0.000000 2.770352 8.562186 9.450555 6.343499 5.453014 6.599402 2.108891 3.172579 4.134401 6.629482 7.931170 5.326134 7.782130 4.429944 5.374775 9.259724 5.712559 2.230351 9.577115 1.089997 3.373816 5.621428 2.962515 4.190493 6.977468 7.960707 5.145690 10.058516 5.002129 6.576830 6.168132 2.796870 8.938185 10.593850 9.656487 1.786050 0.000000 2.874575 5.773317 6.429026 3.967414 2.078988 3.704484 3.168020 2.087392 4.104303 4.288902 5.643868 3.947324 5.071099 2.776033 2.727509 6.756570 5.244422 2.234919 7.505036 3.373948 1.093339 2.758465 4.180753 2.916929 4.364332 6.199848 3.990244 7.554218 5.350785 6.091776 5.586698 2.815508 6.983711 8.372447 7.985140 3.982277 4.173074 0.000000 3.777973 7.414209 7.463104 5.765973 3.798556 5.183618 2.903925 2.093729 4.145258 5.403809 6.904372 4.890703 6.593108 4.046888 4.364345 7.874195 6.172917 2.199657 8.378388 2.916992 1.093790 4.567292 4.010006 3.118289 5.217765 7.473439 4.524648 8.793122 6.105620 6.894003 6.753139 2.420216 7.666054 9.186499 8.900749 3.010563 3.966543 1.809939 0.000000 7.906043 4.309260 0.966929 7.086202 7.202791 4.280388 10.280575 9.379482 11.313752 3.850346 3.216392 5.328034 3.797524 6.155214 5.675284 1.956397 6.038028 8.327090 2.599945 9.874666 8.111309 6.665560 11.391193 10.086323 3.419134 4.066383 5.594942 2.330461 7.083374 5.773782 6.136059 8.001940 2.982337 2.454751 3.594131 10.345355 10.354905 7.299381 8.250429 0.000000 4.956166 10.009797 11.383975 7.056586 5.915139 8.299909 2.125881 3.194275 2.162451 8.780286 10.040971 7.758330 9.485479 6.490915 6.935951 11.400792 8.336995 4.338326 11.992110 3.082083 4.442820 6.486981 1.079506 3.179008 9.111750 10.194868 7.731486 12.122834 7.768359 9.312747 8.583673 5.210925 11.428829 12.987178 12.180679 3.434626 3.075084 5.175458 4.931222 12.302661 0.000000 4.961172 7.672863 8.955724 4.948335 3.015573 6.168088 3.190885 2.118964 2.165679 7.102372 8.270540 6.815170 7.339530 5.426157 5.083459 9.399317 7.953261 4.308698 10.334400 4.432280 3.059967 4.171179 3.178611 1.078779 7.234818 8.805538 6.953919 10.057253 7.934112 8.906443 8.100805 5.189198 9.901877 11.171367 10.824322 4.953926 5.174382 3.006628 3.430357 9.792599 4.202107 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5068080 0.1225128 0.1107256</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.375651" y3="-0.938581" z3="-1.353794">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.419071" y3="2.184281" z3="-0.136668">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.682255" y3="-0.336684" z3="2.01939">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.188722" y3="2.801743" z3="-0.685819">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="1.182918" y3="1.886907" z3="0.870438">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.860292" y3="0.464892" z3="0.462866">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.439829" y3="-0.642748" z3="-0.177253">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.731853" y3="0.030593" z3="0.759505">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.431813" y3="1.290938" z3="0.161773">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.368117" y3="-0.933781" z3="0.326501">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.730805" y3="-0.34766" z3="-0.152546">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.340797" y3="-1.653298" z3="-0.59143">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.074455" y3="1.03713" z3="0.021911">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.186279" y3="-0.635978" z3="-0.580987">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.544612" y3="0.561867" z3="-0.05261">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.990615" y3="-0.641311" z3="0.656085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.811914" y3="-1.997707" z3="-2.012232">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.368304" y3="-1.701613" z3="0.027212">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.46473" y3="-2.085609" z3="0.494627">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.805267" y3="-1.937273" z3="-0.49303">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.556484" y3="-0.731657" z3="1.210762">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.226729" y3="1.880713" z3="0.046883">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.468544" y3="0.139081" z3="-0.520412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.340385" y3="1.201229" z3="0.938718">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.438714" y3="-1.415253" z3="1.303914">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.925726" y3="-0.529164" z3="-1.213587">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-1.034728" y3="-2.585937" z3="-0.104342">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.777753" y3="0.036685" z3="0.290944">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-0.994357" y3="-2.455484" z3="-2.577017">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.644256" y3="-2.70889" z3="-1.988568">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.133298" y3="-1.106129" z3="-2.559852">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.904556" y3="-2.634958" z3="0.344945">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.691608" y3="-2.788893" z3="0.81985">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.362216" y3="-2.262068" z3="1.097079">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.715701" y3="-2.300284" z3="-0.548998">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.317838" y3="-2.727864" z3="0.059367">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.87213" y3="-2.128893" z3="-1.563627">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.742546" y3="-0.016247" z3="1.359207">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.815991" y3="-1.258677" z3="2.13347">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.479183" y3="-0.492907" z3="2.54441">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.200546" y3="-0.147293" z3="-1.26056">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.96132" y3="1.95598" z3="1.609676">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3757,-.9386,-1.3538;-3.4191,2.1843,-.1367;-4.6823,-.3367,2.0194;-.1887,2.8017,-.6858;1.1829,1.8869,.8704;-1.8603,.4649,.4629;4.4398,-.6427,-.1773;3.7319,.0306,.7595;5.4318,1.2909,.1618;-2.3681,-.9338,.3265;-3.7308,-.3477,-.1525;-1.3408,-1.6533,-.5914;-3.0745,1.0371,.0219;-.1863,-.636,-.581;-.5446,.5619,-.0526;-4.9906,-.6413,.6561;-1.8119,-1.9977,-2.0122;2.3683,-1.7016,.0272;-5.4647,-2.0856,.4946;3.8053,-1.9373,-.493;2.5565,-.7317,1.2108;.2267,1.8807,.0469;5.4685,.1391,-.5204;4.3404,1.2012,.9387;-2.4387,-1.4153,1.3039;-3.9257,-.5292,-1.2136;-1.0347,-2.5859,-.1043;-5.7778,.0367,.2909;-.9944,-2.4555,-2.577;-2.6443,-2.7089,-1.9886;-2.1333,-1.1061,-2.5599;1.9046,-2.635,.3449;-4.6916,-2.7889,.8198;-6.3622,-2.2621,1.0971;-5.7157,-2.3003,-.549;4.3178,-2.7279,.0594;3.8721,-2.1289,-1.5636;1.7425,-.0162,1.3592;2.816,-1.2587,2.1335;-5.4792,-.4929,2.5444;6.2005,-.1473,-1.2606;3.9613,1.956,1.6097;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.850044 0.000000 6.959803 3.549575 0.000000 4.108950 3.334364 6.112260 0.000000 3.601074 4.720275 6.376888 2.267213 0.000000 3.967532 2.396984 3.320959 3.094268 3.383692 0.000000 3.295596 8.352009 9.387829 5.791946 4.254912 6.428697 0.000000 3.310139 7.521782 8.515833 5.013894 3.155197 5.616822 1.353564 0.000000 4.870334 8.900858 10.411256 5.881442 4.348619 7.344917 2.199571 2.199003 0.000000 4.103560 3.322851 2.928760 4.441700 4.567494 1.494245 6.832759 6.190891 8.112670 0.000000 5.279022 2.551109 2.371220 4.769641 5.494039 2.130209 8.175998 7.527693 9.313290 1.558827 0.000000 2.910517 4.387829 4.440179 4.602562 4.586856 2.422425 5.882890 5.512920 7.423213 1.554248 2.758522 0.000000 5.059588 1.208248 2.909004 3.455749 4.423499 1.412830 7.702345 6.919753 8.511203 2.115698 1.542360 3.258859 0.000000 1.768735 4.313029 5.202435 3.439320 3.216563 2.259173 4.643697 4.194400 5.985620 2.381730 3.581948 1.538819 3.391804 0.000000 2.762577 3.301789 4.713880 2.354709 2.364764 1.416380 5.129453 4.385195 6.024546 2.388694 3.314974 2.414787 2.575177 1.357356 0.000000 6.682613 3.328990 1.430554 6.059167 6.674605 3.325649 9.467192 8.748920 10.611547 2.659260 1.525528 3.987679 2.625073 4.961050 4.660132 0.000000 3.422843 4.856924 5.220328 5.237255 5.689378 3.491825 6.654874 6.521493 8.247003 2.628872 3.140577 1.535984 3.865486 2.558409 3.463753 4.366218 0.000000 1.864070 6.972857 7.452663 5.227524 3.872163 4.771222 2.335427 2.322941 4.284688 4.807579 6.250170 3.760649 6.092977 2.833969 3.689823 7.461462 4.660603 0.000000 7.177962 4.776527 2.448654 7.288067 7.753280 4.415658 10.031628 9.440636 11.412559 3.308170 2.538857 4.286401 3.960855 5.578568 5.613926 1.528676 4.431154 7.856357 0.000000 2.764297 8.324978 8.995119 6.200595 4.833229 6.227575 1.475865 2.333823 3.673658 6.307875 7.709421 5.154833 7.512843 4.199232 5.035982 8.964794 5.819308 1.546302 9.323643 0.000000 2.830924 6.784211 7.294466 4.859845 2.976471 4.636701 2.341256 1.471784 3.668621 5.007441 6.444848 4.391597 6.020752 3.277540 3.589723 7.567995 5.574359 1.541758 8.166145 2.432257 0.000000 3.351168 3.663019 5.736354 1.248098 1.261974 2.556022 4.916127 4.026992 5.239650 3.838331 4.546152 3.918394 3.407356 2.626504 1.531085 5.826870 4.841297 4.173702 6.951611 5.260651 3.688746 0.000000 4.313659 9.127968 10.474525 6.254741 4.832799 7.401677 1.336888 2.160105 1.339216 7.954970 9.219559 7.041647 8.607174 5.708013 6.046125 10.554012 7.732817 3.646853 11.203394 2.660542 3.497891 5.552633 0.000000 4.315559 7.895062 9.216347 5.070855 3.231781 6.262349 2.157669 1.331471 1.342724 7.066617 8.290598 6.539534 7.473106 5.116201 5.025406 9.515377 7.536052 3.625802 10.350884 3.490909 2.644306 4.263711 2.128371 0.000000 4.673329 3.999127 2.590114 5.177312 4.920202 2.139364 7.078487 6.361033 8.400783 1.091850 2.220479 2.203274 2.839345 3.038682 3.055615 2.744243 3.424756 4.981907 3.203294 6.518345 5.042617 4.421324 8.262497 7.275681 0.000000 5.319010 2.962978 3.325886 5.033755 6.023189 2.839834 8.430267 7.927479 9.631610 2.227494 1.093958 2.886627 2.168962 3.794082 3.737666 2.154585 2.694931 6.521428 2.776517 7.891148 6.923693 4.963786 9.443482 8.715232 3.055187 0.000000 3.175663 5.333021 4.782659 5.484609 5.086697 3.211049 5.809653 5.505702 7.544344 2.166373 3.504431 1.095787 4.159692 2.179311 3.186151 4.473127 2.142447 3.518517 4.498223 4.898714 4.250254 4.643824 7.063383 6.657510 2.307567 3.717339 0.000000 7.404558 3.218447 2.080155 6.311646 7.225654 3.944543 10.250845 9.521144 11.280257 3.545234 2.129413 4.829203 2.895011 5.698887 5.270636 1.101178 5.017095 8.333635 2.154902 9.815569 8.419972 6.286001 11.275991 10.205512 3.779340 2.452305 5.434214 0.000000 3.068258 5.775981 6.262336 5.644830 5.956662 4.303408 6.210898 6.296826 7.926683 3.554322 4.220086 2.169350 4.824892 2.819171 3.959710 5.451077 1.094048 4.319470 5.436546 5.258130 5.470587 5.213300 7.261575 7.361481 4.269645 3.763319 2.476443 6.108762 0.000000 4.438084 5.288950 5.083751 6.172025 6.628916 4.086199 7.598294 7.464010 9.265284 2.930326 3.182290 2.182951 4.273145 3.509972 4.342153 4.095665 1.095051 5.495793 3.809174 6.665462 6.418167 5.783604 8.722611 8.523101 3.543471 2.644611 2.481131 4.749017 1.769930 0.000000 3.714212 4.283904 5.297045 4.750247 5.632268 3.417523 7.006961 6.834491 8.389522 2.901013 2.987043 2.191379 3.484944 2.815641 3.404761 4.326958 1.094572 5.226081 4.624680 6.342642 6.029247 4.613677 7.968555 7.711839 3.888127 2.314761 3.070215 4.766038 1.765854 1.776595 0.000000 2.458282 7.197084 7.174392 5.916249 4.609139 4.878222 3.266375 3.258226 5.280886 4.598921 6.102173 3.517494 6.195089 3.037246 4.046747 7.184345 4.446855 1.089564 7.391249 2.191272 2.190252 4.826513 4.598494 4.582811 4.612081 6.391836 2.973827 8.133785 4.119923 5.112968 5.203790 0.000000 6.705223 5.221756 2.729892 7.334728 7.508377 4.327922 9.433096 8.883009 10.934429 3.013876 2.797913 3.809097 4.229698 5.186076 5.402440 2.174473 4.115738 7.186989 1.094576 8.639780 7.544527 6.825888 10.658238 9.874822 2.682674 3.134934 3.777314 3.073002 5.031852 3.476387 4.560596 6.615029 0.000000 8.223926 5.473047 2.716620 8.181255 8.613617 5.301495 10.996831 10.356663 12.353046 4.279131 3.485806 5.332570 4.780174 6.603201 6.568174 2.168552 5.517512 8.813665 1.095247 10.296196 9.049767 7.853645 12.179847 11.250118 4.019171 3.778705 5.470871 2.505138 6.507710 4.852225 5.709036 8.309287 1.773507 0.000000 7.265618 5.055279 3.394164 7.523091 8.193797 4.851211 10.296622 9.818424 11.733249 3.720235 2.812423 4.422689 4.294234 5.774552 5.931144 2.174894 4.179972 8.126596 1.094634 9.528051 8.601535 7.290287 11.447212 10.751686 3.867196 2.604334 4.710714 2.484104 5.140821 3.416591 4.278219 7.679808 1.777990 1.768901 0.000000 3.722234 9.166644 9.516359 7.172233 5.637523 6.966045 2.102041 2.905625 4.171593 6.927632 8.395887 5.796411 8.295937 5.007306 5.871821 9.558089 6.511414 2.203385 9.813286 1.092202 2.900503 6.162491 3.143189 4.026355 6.994487 8.626183 5.356949 10.469829 5.936676 7.257076 7.148950 2.431896 9.041691 10.740454 10.061056 0.000000 2.773676 8.590768 9.446032 6.447653 5.411393 6.610223 2.110199 3.174902 4.135802 6.628842 7.935273 5.324093 7.796965 4.434530 5.388039 9.256796 5.703228 2.230433 9.561131 1.089664 3.373489 5.653284 2.963198 4.191743 6.968416 7.967949 5.139616 10.062276 4.981597 6.555933 6.172817 2.787490 8.913707 10.575392 9.642891 1.786486 0.000000 2.888889 5.807087 6.466575 3.981582 2.043055 3.743710 3.166788 2.078263 4.093076 4.336577 5.687952 3.998990 5.108959 2.805135 2.749279 6.798569 5.284597 2.237463 7.548151 3.372823 1.093774 2.760136 4.176141 2.899625 4.409446 6.245931 4.056911 7.595978 5.379067 6.140192 5.618632 2.812938 7.026864 8.414249 8.030163 3.959113 4.188240 0.000000 3.786562 7.475526 7.555579 5.784781 3.762562 5.256351 2.890616 2.094946 4.150982 5.499606 6.994023 4.985949 6.665340 4.095077 4.403065 7.969122 6.257037 2.198395 8.481743 2.887501 1.093839 4.573171 4.004105 3.130870 5.322086 7.562124 4.647306 8.883991 6.175741 6.993470 6.822463 2.433862 7.773751 9.290876 9.003907 2.952280 3.942237 1.815323 0.000000 7.898313 4.312723 0.967029 7.019835 7.269752 4.283290 10.286724 9.396973 11.309681 3.846066 3.217374 5.320360 3.806144 6.148447 5.675126 1.956143 6.039558 8.329484 2.595866 9.874879 8.149084 6.665519 11.386188 10.093178 3.410865 4.066581 5.581204 2.334035 7.084799 5.787511 6.133880 7.996600 2.977571 2.450396 3.590504 10.351429 10.344054 7.333845 8.340574 0.000000 4.890240 9.961747 11.367907 7.060445 5.818566 8.265717 2.125830 3.194801 2.163906 8.749818 9.994978 7.719304 9.437862 6.441442 6.889065 11.364844 8.257637 4.331322 11.954766 3.087150 4.441633 6.442725 1.079655 3.180493 9.100608 10.133579 7.722242 12.079763 7.669905 9.237008 8.488845 5.217438 11.399351 12.955837 12.130072 3.456319 3.072476 5.172438 4.920349 12.288748 0.000000 4.883269 7.587622 8.951847 4.817411 2.875892 6.117980 3.189902 2.117206 2.168191 7.075240 8.220764 6.781165 7.270998 5.359088 5.001016 9.369760 7.879091 4.291839 10.316404 4.427544 3.058772 4.049093 3.179642 1.078668 7.240106 8.737977 6.966158 10.013605 7.845262 8.851102 7.994113 5.187151 9.900041 11.163784 10.789828 4.946611 5.173393 2.979156 3.452559 9.797646 4.204301 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5110807 0.1230827 0.1108217</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.376575" y3="-0.934238" z3="-1.374778">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.425077" y3="2.183465" z3="-0.158324">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.657298" y3="-0.327709" z3="2.028614">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.184872" y3="2.803142" z3="-0.732441">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="1.180865" y3="1.908996" z3="0.840539">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.857006" y3="0.472829" z3="0.4419">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.437783" y3="-0.64176" z3="-0.161631">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.718766" y3="0.018782" z3="0.776196">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.419927" y3="1.289108" z3="0.210088">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.360722" y3="-0.92811" z3="0.31848">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.729277" y3="-0.349723" z3="-0.153448">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.335332" y3="-1.649334" z3="-0.600705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.074049" y3="1.038545" z3="0.003718">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.182281" y3="-0.628876" z3="-0.598153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.542232" y3="0.571379" z3="-0.073973">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.980067" y3="-0.640355" z3="0.669938">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.812511" y3="-2.002352" z3="-2.017626">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.364906" y3="-1.706431" z3="0.003995">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.456383" y3="-2.085432" z3="0.521714">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.807445" y3="-1.930771" z3="-0.505463">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.536595" y3="-0.748709" z3="1.200513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.227397" y3="1.892136" z3="0.014956">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.466519" y3="0.146399" z3="-0.484992">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.323349" y3="1.187719" z3="0.977266">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.424156" y3="-1.403747" z3="1.299054">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.933878" y3="-0.539896" z3="-1.211082">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-1.025406" y3="-2.578647" z3="-0.109604">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.770501" y3="0.036198" z3="0.309093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-0.998932" y3="-2.465954" z3="-2.583295">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.646618" y3="-2.711109" z3="-1.985385">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.134429" y3="-1.11353" z3="-2.569531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.904158" y3="-2.645552" z3="0.308006">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.680532" y3="-2.786626" z3="0.845164">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.34888" y3="-2.257339" z3="1.132812">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.716009" y3="-2.306927" z3="-0.518311">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.313668" y3="-2.730492" z3="0.039706">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.885751" y3="-2.105912" z3="-1.578071">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.718568" y3="-0.037082" z3="1.343543">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.78173" y3="-1.285566" z3="2.121447">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.448423" y3="-0.481586" z3="2.562862">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.206869" y3="-0.128779" z3="-1.221098">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.936499" y3="1.933046" z3="1.654505">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3766,-.9342,-1.3748;-3.4251,2.1835,-.1583;-4.6573,-.3277,2.0286;-.1849,2.8031,-.7324;1.1809,1.909,.8405;-1.857,.4728,.4419;4.4378,-.6418,-.1616;3.7188,.0188,.7762;5.4199,1.2891,.2101;-2.3607,-.9281,.3185;-3.7293,-.3497,-.1534;-1.3353,-1.6493,-.6007;-3.074,1.0385,.0037;-.1823,-.6289,-.5982;-.5422,.5714,-.074;-4.9801,-.6404,.6699;-1.8125,-2.0024,-2.0176;2.3649,-1.7064,.004;-5.4564,-2.0854,.5217;3.8074,-1.9308,-.5055;2.5366,-.7487,1.2005;.2274,1.8921,.015;5.4665,.1464,-.485;4.3233,1.1877,.9773;-2.4242,-1.4037,1.2991;-3.9339,-.5399,-1.2111;-1.0254,-2.5786,-.1096;-5.7705,.0362,.3091;-.9989,-2.466,-2.5833;-2.6466,-2.7111,-1.9854;-2.1344,-1.1135,-2.5695;1.9042,-2.6456,.308;-4.6805,-2.7866,.8452;-6.3489,-2.2573,1.1328;-5.716,-2.3069,-.5183;4.3137,-2.7305,.0397;3.8858,-2.1059,-1.5781;1.7186,-.0371,1.3435;2.7817,-1.2856,2.1214;-5.4484,-.4816,2.5629;6.2069,-.1288,-1.2211;3.9365,1.933,1.6545;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.852837 0.000000 6.954033 3.550642 0.000000 4.101064 3.348513 6.117863 0.000000 3.609697 4.720992 6.363845 2.266936 0.000000 3.966888 2.396955 3.316648 3.099269 3.383807 0.000000 3.305793 8.355028 9.360359 5.793282 4.256550 6.421132 0.000000 3.319759 7.522877 8.476265 5.026633 3.165121 5.604208 1.353817 0.000000 4.878910 8.897736 10.366851 5.881703 4.330285 7.326241 2.197961 2.197306 0.000000 4.102992 3.322965 2.925629 4.445335 4.567773 1.493851 6.821449 6.169788 8.091124 0.000000 5.282331 2.551393 2.371309 4.778975 5.495390 2.129889 8.172284 7.514877 9.301927 1.558907 0.000000 2.909466 4.387834 4.437958 4.600593 4.590223 2.421311 5.876807 5.497488 7.411164 1.554506 2.760434 0.000000 5.059661 1.208438 2.910933 3.464546 4.422923 1.411818 7.699246 6.912233 8.500176 2.115571 1.543151 3.257784 0.000000 1.768170 4.314909 5.197729 3.434645 3.220062 2.258356 4.640659 4.186462 5.976341 2.382301 3.585647 1.539762 3.391882 0.000000 2.764199 3.304048 4.707760 2.354156 2.365294 1.415793 5.126397 4.379984 6.011919 2.389433 3.318433 2.416200 2.575728 1.358287 0.000000 6.683870 3.328359 1.431058 6.067803 6.669736 3.323355 9.454492 8.724417 10.587453 2.658439 1.525421 3.989569 2.625921 4.962553 4.660052 0.000000 3.424089 4.855763 5.222002 5.233897 5.694563 3.489666 6.660488 6.518086 8.252549 2.629053 3.143300 1.536225 3.863206 2.561052 3.466336 4.371664 0.000000 1.863892 6.977216 7.437157 5.232585 3.895262 4.771318 2.336189 2.324993 4.283559 4.799608 6.245359 3.749758 6.092382 2.830524 3.694042 7.451753 4.650304 0.000000 7.184097 4.776205 2.449260 7.297938 7.753075 4.416626 10.022260 9.416785 11.392048 3.311166 2.539966 4.293375 3.962710 5.584963 5.618040 1.528756 4.442180 7.847563 0.000000 2.767294 8.328075 8.980158 6.196777 4.842980 6.225817 1.475499 2.334796 3.671476 6.303212 7.708813 5.151353 7.512061 4.197789 5.036530 8.959191 5.820280 1.546220 9.321884 0.000000 2.830581 6.781270 7.253627 4.874252 3.005158 4.622919 2.341237 1.471942 3.667048 4.979345 6.422893 4.364325 6.008820 3.262185 3.584149 7.536144 5.553626 1.542194 8.132362 2.433657 0.000000 3.352664 3.668170 5.730862 1.248399 1.261337 2.557626 4.917231 4.034674 5.231069 3.839827 4.550776 3.919588 3.410028 2.626640 1.531220 5.827538 4.843516 4.185539 6.955804 5.263287 3.702971 0.000000 4.322863 9.127806 10.441967 6.249619 4.819814 7.389162 1.335685 2.159055 1.338317 7.941400 9.215136 7.035853 8.600934 5.702877 6.037768 10.539640 7.742763 3.645832 11.193942 2.658493 3.496655 5.544902 0.000000 4.326464 7.894251 9.168091 5.084953 3.227095 6.244556 2.158048 1.331301 1.342134 7.041842 8.275689 6.523767 7.462677 5.107119 5.015861 9.486298 7.536226 3.627514 10.322995 3.491364 2.644254 4.266036 2.128234 0.000000 4.670693 3.999236 2.583997 5.180665 4.917386 2.139605 7.056943 6.327122 8.364625 1.091687 2.219025 2.203392 2.839903 3.037404 3.054172 2.740663 3.425318 4.970303 3.203647 6.508985 5.004782 4.420689 8.237022 7.235197 0.000000 5.327590 2.963759 3.326257 5.045795 6.030490 2.841013 8.437798 7.926182 9.636319 2.228248 1.093899 2.890649 2.169451 3.802378 3.745826 2.154725 2.699906 6.520114 2.776560 7.896867 6.908431 4.973345 9.453342 8.715235 3.053896 0.000000 3.173997 5.332777 4.778006 5.482524 5.090122 3.210486 5.796609 5.480734 7.523566 2.165778 3.504417 1.095836 4.158588 2.179712 3.187066 4.472583 2.142942 3.502553 4.502820 4.892126 4.213423 4.644666 7.050665 6.631438 2.306774 3.718732 0.000000 7.406609 3.214070 2.080480 6.319812 7.218815 3.940016 10.241595 9.500772 11.260784 3.543525 2.128256 4.831094 2.892889 5.700317 5.269530 1.101236 5.023445 8.325544 2.155271 9.811703 8.391576 6.285364 11.265582 10.181270 3.775114 2.452753 5.434027 0.000000 3.074036 5.777868 6.263021 5.643733 5.967774 4.304014 6.224951 6.302124 7.943880 3.555239 4.223431 2.170413 4.824962 2.825342 3.966190 5.455801 1.093992 4.311189 5.445617 5.263560 5.455830 5.219936 7.282123 7.372489 4.269916 3.769161 2.476398 6.115108 0.000000 4.440292 5.282140 5.082875 6.167417 6.631805 4.080767 7.602436 7.456323 9.267739 2.927220 3.178724 2.182699 4.266044 3.511846 4.342426 4.096797 1.095040 5.484741 3.817302 6.667385 6.392704 5.783701 8.731525 8.518134 3.542065 2.640218 2.482827 4.750892 1.769878 0.000000 3.713049 4.283675 5.303331 4.745102 5.635195 3.414999 7.015307 6.836367 8.400432 2.902791 2.994060 2.191328 3.483665 2.816399 3.406145 4.337708 1.094639 5.217144 4.640665 6.343038 6.013718 4.614307 7.981676 7.718706 3.890260 2.326469 3.070463 4.778009 1.765954 1.776464 0.000000 2.457377 7.206776 7.168375 5.927465 4.642267 4.887595 3.264200 3.257404 5.277478 4.597708 6.100767 3.508918 6.200621 3.039956 4.059480 7.179440 4.431241 1.089339 7.384916 2.189782 2.189648 4.846443 4.595025 4.581960 4.610701 6.389373 2.959936 8.129709 4.101196 5.096421 5.190135 0.000000 6.711782 5.223501 2.728986 7.344746 7.510317 4.331162 9.421134 8.855692 10.910279 3.018774 2.800109 3.817634 4.233291 5.193583 5.408007 2.174144 4.127493 7.177226 1.094641 8.637270 7.507750 6.831385 10.645872 9.842903 2.685070 3.135831 3.783488 3.073067 5.040966 3.486333 4.576247 6.608069 0.000000 8.229292 5.471416 2.717974 8.190399 8.610507 5.301707 10.983523 10.327894 12.326131 4.281985 3.486515 5.339514 4.781446 6.608712 6.570779 2.168533 5.528917 8.803851 1.095236 10.292790 9.012892 7.855900 12.165480 11.215573 4.019914 3.778317 5.475966 2.504665 6.517278 4.861666 5.725141 8.303231 1.773773 0.000000 7.274789 5.053868 3.394849 7.533401 8.196789 4.851902 10.295606 9.803043 11.724807 3.722809 2.812628 4.430524 4.294724 5.783111 5.937175 2.175088 4.192614 8.120011 1.094585 9.530888 8.572507 7.296614 11.448531 10.734897 3.867149 2.603521 4.716209 2.485519 5.151724 3.425906 4.296442 7.672315 1.778030 1.768952 0.000000 3.722071 9.169208 9.497756 7.173157 5.655142 6.964212 2.102081 2.907720 4.172533 6.919088 8.390133 5.787075 8.293690 5.003720 5.873248 9.546694 6.503297 2.201738 9.803180 1.092257 2.903950 6.169838 3.143386 4.028832 6.981725 8.624685 5.343319 10.460287 5.930753 7.248928 7.141474 2.425889 9.030368 10.728871 10.054114 0.000000 2.776709 8.594338 9.442133 6.433029 5.411614 6.611312 2.110636 3.175654 4.132478 6.633441 7.943701 5.331361 7.799261 4.437427 5.388621 9.263051 5.716128 2.230580 9.575228 1.089630 3.373833 5.648510 2.960837 4.191568 6.970352 7.983338 5.147750 10.069420 5.000023 6.572976 6.181455 2.788406 8.928417 10.588648 9.662158 1.786174 0.000000 2.882901 5.800304 6.419148 3.999958 2.080710 3.722593 3.166278 2.079855 4.091889 4.299452 5.658422 3.963050 5.091294 2.780941 2.736932 6.759393 5.256259 2.235815 7.506735 3.371690 1.093636 2.776799 4.174247 2.901582 4.362559 6.223269 4.012553 7.560530 5.357637 6.106311 5.596113 2.812632 6.982611 8.370045 7.993224 3.960934 4.184802 0.000000 3.784373 7.466993 7.501016 5.801977 3.795882 5.237433 2.892999 2.095009 4.152388 5.461069 6.960184 4.949004 6.646533 4.075884 4.395093 7.922667 6.225171 2.198743 8.430032 2.892929 1.093813 4.589085 4.006512 3.130955 5.271769 7.534000 4.598253 8.841512 6.149904 6.954510 6.797315 2.430692 7.717993 9.235246 8.956733 2.961130 3.946931 1.814982 0.000000 7.892433 4.312920 0.966942 7.025200 7.254567 4.278745 10.256003 9.353069 11.260192 3.843245 3.217327 5.318769 3.807580 6.143774 5.668540 1.956457 6.042636 8.312409 2.595895 9.858288 8.104805 6.658928 11.349878 10.039334 3.404964 4.066927 5.576990 2.334803 7.086509 5.788560 6.141935 7.989216 2.975458 2.451359 3.591252 10.330649 10.339853 7.283549 8.281101 0.000000 4.899400 9.962447 11.341531 7.049063 5.802033 8.255518 2.124919 3.193996 2.162863 8.741443 9.995783 7.718923 9.433888 6.438897 6.881605 11.357168 8.273764 4.330187 11.953967 3.084890 4.440655 6.431641 1.079673 3.180191 9.081371 10.149082 7.716416 12.075847 7.696852 9.254015 8.506778 5.213983 11.396012 12.950617 12.140562 3.455828 3.069865 5.170168 4.923651 12.259227 0.000000 4.893985 7.585636 8.894061 4.841516 2.873436 6.096503 3.190495 2.117366 2.168307 7.044584 8.200235 6.761037 7.257617 5.348108 4.990071 9.332572 7.875469 4.294168 10.278989 4.428454 3.059027 4.055518 3.179704 1.078804 7.191555 8.733262 6.934547 9.981683 7.852937 8.840498 7.998767 5.187198 9.858172 11.118475 10.764265 4.949588 5.173519 2.982837 3.451230 9.733053 4.204140 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5075614 0.1233364 0.1111704</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.376806" y3="-0.931516" z3="-1.374602">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.437231" y3="2.183839" z3="-0.156292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.653915" y3="-0.338433" z3="2.032701">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.203896" y3="2.814249" z3="-0.733453">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="1.184524" y3="1.918592" z3="0.818277">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.860322" y3="0.477968" z3="0.435116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.443546" y3="-0.65025" z3="-0.154227">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.726953" y3="0.016198" z3="0.781519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.432239" y3="1.278305" z3="0.21101">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.36047" y3="-0.924008" z3="0.316082">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.732087" y3="-0.350334" z3="-0.152302">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.336097" y3="-1.64403" z3="-0.604996">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.081591" y3="1.040299" z3="0.006125">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.18367" y3="-0.622535" z3="-0.602316">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.546138" y3="0.578766" z3="-0.081401">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.979783" y3="-0.647102" z3="0.673749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.815418" y3="-1.995598" z3="-2.02143">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.362766" y3="-1.701383" z3="0.007797">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.453166" y3="-2.092612" z3="0.521558">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.804679" y3="-1.934662" z3="-0.49965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.537238" y3="-0.741575" z3="1.202537">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.221022" y3="1.901306" z3="0.00471">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.473675" y3="0.134218" z3="-0.48167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.335328" y3="1.183792" z3="0.978417">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.419771" y3="-1.398195" z3="1.297598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.93814" y3="-0.540364" z3="-1.209761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-1.0244" y3="-2.573367" z3="-0.114996">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.772516" y3="0.029285" z3="0.317493">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-1.003673" y3="-2.460829" z3="-2.588327">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.65107" y3="-2.702431" z3="-1.98801">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.136413" y3="-1.105796" z3="-2.572392">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.898459" y3="-2.637721" z3="0.314808">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.675228" y3="-2.793051" z3="0.84167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.344532" y3="-2.268309" z3="1.133217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.713722" y3="-2.31124" z3="-0.518825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.304291" y3="-2.737987" z3="0.04642">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.884501" y3="-2.110232" z3="-1.572028">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.723697" y3="-0.024127" z3="1.341166">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.774742" y3="-1.27803" z3="2.12561">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.442583" y3="-0.498066" z3="2.568878">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.212857" y3="-0.146202" z3="-1.216987">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.951008" y3="1.932367" z3="1.653408">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3768,-.9315,-1.3746;-3.4372,2.1838,-.1563;-4.6539,-.3384,2.0327;-.2039,2.8142,-.7335;1.1845,1.9186,.8183;-1.8603,.478,.4351;4.4435,-.6502,-.1542;3.727,.0162,.7815;5.4322,1.2783,.211;-2.3605,-.924,.3161;-3.7321,-.3503,-.1523;-1.3361,-1.644,-.605;-3.0816,1.0403,.0061;-.1837,-.6225,-.6023;-.5461,.5788,-.0814;-4.9798,-.6471,.6737;-1.8154,-1.9956,-2.0214;2.3628,-1.7014,.0078;-5.4532,-2.0926,.5216;3.8047,-1.9347,-.4996;2.5372,-.7416,1.2025;.221,1.9013,.0047;5.4737,.1342,-.4817;4.3353,1.1838,.9784;-2.4198,-1.3982,1.2976;-3.9381,-.5404,-1.2098;-1.0244,-2.5734,-.115;-5.7725,.0293,.3175;-1.0037,-2.4608,-2.5883;-2.6511,-2.7024,-1.988;-2.1364,-1.1058,-2.5724;1.8985,-2.6377,.3148;-4.6752,-2.7931,.8417;-6.3445,-2.2683,1.1332;-5.7137,-2.3112,-.5188;4.3043,-2.738,.0464;3.8845,-2.1102,-1.572;1.7237,-.0241,1.3412;2.7747,-1.278,2.1256;-5.4426,-.4981,2.5689;6.2129,-.1462,-1.217;3.951,1.9324,1.6534;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.862138 0.000000 6.952054 3.554415 0.000000 4.115877 3.344396 6.115037 0.000000 3.601223 4.730830 6.376233 2.266667 0.000000 3.967458 2.397165 3.320082 3.093139 3.390177 0.000000 3.312600 8.374885 9.361820 5.825545 4.262152 6.431093 0.000000 3.327192 7.543453 8.481166 5.057253 3.175595 5.617017 1.353986 0.000000 4.883033 8.923138 10.376073 5.917529 4.338413 7.339769 2.197780 2.196906 0.000000 4.101915 3.322839 2.923965 4.441497 4.571603 1.493269 6.825743 6.177163 8.098613 0.000000 5.285129 2.551272 2.371528 4.774983 5.501193 2.129471 8.181133 7.526198 9.315006 1.558787 0.000000 2.908575 4.389610 4.435082 4.601590 4.590372 2.420644 5.881756 5.505747 7.417296 1.554400 2.760318 0.000000 5.066731 1.208529 2.912064 3.460491 4.430657 1.411292 7.714360 6.928657 8.519620 2.115323 1.543408 3.259730 0.000000 1.768327 4.319760 5.196837 3.439344 3.216733 2.257993 4.648944 4.197136 5.984407 2.381764 3.587182 1.539982 3.396051 0.000000 2.766050 3.307610 4.710044 2.353653 2.366378 1.415638 5.139332 4.395500 6.026263 2.389168 3.319417 2.416404 2.578603 1.358625 0.000000 6.684525 3.329063 1.431160 6.063849 6.678500 3.324720 9.459635 8.732631 10.598657 2.658083 1.525509 3.988171 2.626058 4.963028 4.661568 0.000000 3.426507 4.855586 5.219123 5.233595 5.690736 3.486425 6.668661 6.528531 8.260191 2.628564 3.142317 1.536110 3.864045 2.561598 3.464410 4.369856 0.000000 1.864361 6.982968 7.429110 5.246726 3.892218 4.771441 2.336831 2.325884 4.282698 4.796698 6.244854 3.749719 6.095724 2.832047 3.697129 7.447687 4.654197 0.000000 7.182763 4.776139 2.449388 7.294325 7.761232 4.418583 10.024071 9.422805 11.399630 3.312495 2.540025 4.291924 3.962975 5.584962 5.619497 1.528644 4.439528 7.842563 0.000000 2.768829 8.338177 8.972656 6.218962 4.842490 6.227906 1.475527 2.335227 3.671123 6.300469 7.709319 5.150062 7.518438 4.199898 5.042010 8.955527 5.822802 1.546297 9.315337 0.000000 2.832724 6.789605 7.250129 4.889351 3.008984 4.627608 2.341614 1.472039 3.666616 4.980626 6.425971 4.368561 6.014792 3.267263 3.591519 7.536190 5.559870 1.542426 8.132379 2.434605 0.000000 3.356073 3.672677 5.735345 1.248561 1.261161 2.557955 4.936134 4.055690 5.252378 3.839720 4.552099 3.919919 3.413002 2.627172 1.531359 5.830126 4.841301 4.191235 6.958083 5.273674 3.712744 0.000000 4.326367 9.149374 10.445742 6.283372 4.823968 7.399066 1.335581 2.158845 1.338080 7.945444 9.224388 7.039202 8.616931 5.709009 6.049461 10.546101 7.748410 3.645102 11.196477 2.658220 3.496602 5.563230 0.000000 4.331752 7.918354 9.177972 5.117953 3.239312 6.259349 2.158311 1.331227 1.342035 7.050902 8.289467 6.532138 7.481753 5.116921 5.031698 9.498226 7.545812 3.627305 10.332384 3.491565 2.643936 4.288409 2.128213 0.000000 4.666095 3.997498 2.579703 5.174935 4.921562 2.139356 7.054952 6.328433 8.366504 1.091670 2.218647 2.203327 2.837633 3.035041 3.052952 2.739889 3.426088 4.962678 3.207169 6.500898 5.001213 4.419508 8.235325 7.238778 0.000000 5.331869 2.963442 3.326661 5.042308 6.033331 2.839004 8.448602 7.939056 9.650396 2.228098 1.093979 2.890406 2.170380 3.804180 3.745841 2.155000 2.698603 6.521643 2.775291 7.899340 6.913045 4.973461 9.464007 8.729897 3.054204 0.000000 3.169869 5.334272 4.772935 5.484716 5.091958 3.211235 5.796408 5.484974 7.525280 2.165940 3.503546 1.095866 4.159962 2.179461 3.188386 4.469639 2.143365 3.499761 4.500033 4.886298 4.216233 4.646300 7.049145 6.636150 2.307274 3.717726 0.000000 7.409395 3.212497 2.080487 6.314273 7.226388 3.939596 10.249498 9.510805 11.274659 3.542715 2.127949 4.830403 2.891398 5.701414 5.270302 1.101291 5.022881 8.323097 2.155475 9.810580 8.392232 6.286875 11.275038 10.195010 3.773487 2.453964 5.431892 0.000000 3.078735 5.780133 6.259611 5.648597 5.964268 4.302509 6.235001 6.314298 7.952257 3.555040 4.222873 2.170546 4.827714 2.827715 3.966505 5.453458 1.093957 4.318511 5.441043 5.268746 5.464846 5.220340 7.288917 7.383080 4.270239 3.768252 2.475977 6.114436 0.000000 4.442544 5.277204 5.076022 6.164117 6.628793 4.075753 7.609717 7.465951 9.274796 2.925078 3.173450 2.182223 4.262623 3.512005 4.339603 4.090507 1.095009 5.488524 3.810715 6.669437 6.398679 5.780506 8.736540 8.527144 3.542563 2.633772 2.484129 4.745634 1.769935 0.000000 3.715883 4.283849 5.304106 4.741631 5.627805 3.410225 7.025020 6.847383 8.409266 2.902848 2.995619 2.191084 3.485374 2.815661 3.401729 4.339652 1.094690 5.220605 4.641893 6.346642 6.018784 4.608863 7.988880 7.728770 3.891350 2.328668 3.070689 4.781327 1.766202 1.776406 0.000000 2.457105 7.206869 7.153425 5.936558 4.639308 4.883690 3.263050 3.256454 5.275759 4.590784 6.095358 3.506539 6.198711 3.039301 4.059412 7.169493 4.434322 1.089295 7.374706 2.188905 2.188943 4.848992 4.593494 4.580684 4.598850 6.386635 2.954992 8.121379 4.108754 5.099547 5.192583 0.000000 6.708524 5.224749 2.728399 7.342727 7.519098 4.334576 9.419950 8.859580 10.914879 3.021204 2.800778 3.816136 4.234666 5.193297 5.410231 2.173948 4.124535 7.170805 1.094657 8.628140 7.507227 6.834527 10.645204 9.850082 2.690833 3.134688 3.780479 3.073171 5.035431 3.480304 4.576923 6.596596 0.000000 8.227711 5.471458 2.718765 8.186835 8.620674 5.304481 10.984455 10.333319 12.333745 4.283410 3.486553 5.338121 4.781633 6.608848 6.572862 2.168401 5.526214 8.798012 1.095231 10.285138 9.012301 7.859117 12.167580 11.224989 4.023415 3.777044 5.473107 2.504305 6.512429 4.855119 5.726363 8.291753 1.773958 0.000000 7.274035 5.051690 3.394915 7.528272 8.201531 4.851635 10.298636 9.809903 11.732431 3.723678 2.811826 4.429018 4.293774 5.782747 5.936952 2.174915 4.189776 8.116582 1.094570 9.525867 8.573522 7.296630 11.451615 10.744319 3.870808 2.601170 4.713971 2.486149 5.146822 3.419265 4.297367 7.664648 1.778077 1.768900 0.000000 3.721936 9.175872 9.484335 7.194392 5.657954 6.963900 2.101974 2.908474 4.174921 6.912473 8.385926 5.782305 8.296283 5.003777 5.877402 9.537263 6.502152 2.201263 9.790313 1.092307 2.905984 6.180443 3.145776 4.031121 6.969469 8.622366 5.333676 10.453388 5.932385 7.246877 7.141771 2.422831 9.014833 10.714436 10.043017 0.000000 2.777928 8.605296 9.435989 6.455130 5.406927 6.612897 2.110506 3.175800 4.130000 6.631120 7.945142 5.329834 7.806590 4.438874 5.392888 9.260659 5.718757 2.231296 9.569506 1.089583 3.374396 5.656821 2.958363 4.190299 6.963160 7.986829 5.141473 10.070045 5.005001 6.575518 6.185551 2.789759 8.919706 10.581893 9.657925 1.785966 0.000000 2.884282 5.809705 6.422690 4.009493 2.082854 3.730713 3.166355 2.080352 4.089849 4.305927 5.665902 3.971645 5.099620 2.788057 2.745784 6.765367 5.264891 2.235949 7.513837 3.371829 1.093526 2.784141 4.172545 2.900220 4.365580 6.231382 4.021326 7.565975 5.368145 6.115171 5.602356 2.813329 6.990185 8.377106 8.000353 3.962432 4.184209 0.000000 3.784942 7.468616 7.488419 5.813198 3.802145 5.236900 2.894248 2.094830 4.154856 5.456201 6.956172 4.948653 6.645563 4.077188 4.398504 7.914458 6.227553 2.198655 8.422292 2.895501 1.093735 4.596508 4.009562 3.132419 5.261465 7.532041 4.596923 8.833685 6.156025 6.956309 6.798554 2.428093 7.710114 9.226411 8.950675 2.965472 3.949259 1.814475 0.000000 7.889423 4.317477 0.966937 7.022868 7.267970 4.282310 10.255438 9.356256 11.268398 3.841346 3.217521 5.315068 3.809010 6.142323 5.670867 1.956505 6.039028 8.302445 2.595036 9.848428 8.099613 6.663960 11.352106 10.048172 3.400556 4.067340 5.570494 2.335742 7.081888 5.780745 6.142699 7.971817 2.973053 2.451203 3.590965 10.314145 10.331539 7.286115 8.266152 0.000000 4.901933 9.983905 11.343903 7.083275 5.804292 8.264094 2.124614 3.193762 2.162813 8.743981 10.003856 7.720409 9.449367 6.443622 6.891962 11.362261 8.277716 4.329189 11.954377 3.084231 4.440578 6.448792 1.079684 3.180220 9.078154 10.158649 7.712548 12.084477 7.701713 9.257321 8.512829 5.212301 11.392729 12.950475 12.141585 3.457770 3.066709 5.168327 4.926928 12.259929 0.000000 4.898692 7.610803 8.907586 4.872171 2.889821 6.113189 3.190619 2.117096 2.168491 7.055641 8.215916 6.770855 7.277828 5.358300 5.006608 9.347322 7.885747 4.293564 10.291746 4.428429 3.058103 4.078231 3.179687 1.078740 7.197644 8.749331 6.941439 9.997666 7.863928 8.850352 8.009027 5.185606 9.869167 11.131686 10.776539 4.951709 5.172085 2.980987 3.451554 9.746007 4.204233 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5066443 0.1230999 0.1109901</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.37883" y3="-0.922002" z3="-1.381896">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.454496" y3="2.180531" z3="-0.164052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.640591" y3="-0.343883" z3="2.039986">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.229751" y3="2.827528" z3="-0.746772">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="1.181128" y3="1.939157" z3="0.788808">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.864637" y3="0.483824" z3="0.418209">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.450069" y3="-0.662596" z3="-0.138533">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.732926" y3="0.008975" z3="0.793443">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.446999" y3="1.261706" z3="0.228346">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.357374" y3="-0.920475" z3="0.307607">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.735644" y3="-0.355267" z3="-0.152157">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.333621" y3="-1.636609" z3="-0.616888">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.090885" y3="1.039316" z3="-0.001553">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.183324" y3="-0.61211" z3="-0.613783">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.550638" y3="0.589335" z3="-0.096169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.97591" y3="-0.655307" z3="0.683845">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.816046" y3="-1.984585" z3="-2.032873">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.356713" y3="-1.694228" z3="0.004551">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.44589" y3="-2.102408" z3="0.537203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.799753" y3="-1.937768" z3="-0.495587">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.529389" y3="-0.734726" z3="1.200208">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.21034" y3="1.915714" z3="-0.015397">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.485101" y3="0.116682" z3="-0.463021">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.346553" y3="1.173722" z3="0.991075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.407372" y3="-1.391369" z3="1.291313">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.948171" y3="-0.549545" z3="-1.207653">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-1.018395" y3="-2.566454" z3="-0.130012">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.773394" y3="0.018577" z3="0.333366">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-1.006872" y3="-2.450799" z3="-2.602585">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.653378" y3="-2.689357" z3="-1.998573">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.136601" y3="-1.092904" z3="-2.581165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.886167" y3="-2.627754" z3="0.31062">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.663544" y3="-2.799666" z3="0.853557">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.332731" y3="-2.279966" z3="1.15489">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.712347" y3="-2.323763" z3="-0.501103">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.287339" y3="-2.749504" z3="0.049051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.885733" y3="-2.108025" z3="-1.568342">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.721237" y3="-0.009679" z3="1.328752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.749098" y3="-1.273185" z3="2.126436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.423913" y3="-0.507846" z3="2.582652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.22653" y3="-0.16862" z3="-1.194159">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.964119" y3="1.924532" z3="1.664553">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3788,-.922,-1.3819;-3.4545,2.1805,-.1641;-4.6406,-.3439,2.04;-.2298,2.8275,-.7468;1.1811,1.9392,.7888;-1.8646,.4838,.4182;4.4501,-.6626,-.1385;3.7329,.009,.7934;5.447,1.2617,.2283;-2.3574,-.9205,.3076;-3.7356,-.3553,-.1522;-1.3336,-1.6366,-.6169;-3.0909,1.0393,-.0016;-.1833,-.6121,-.6138;-.5506,.5893,-.0962;-4.9759,-.6553,.6838;-1.816,-1.9846,-2.0329;2.3567,-1.6942,.0046;-5.4459,-2.1024,.5372;3.7998,-1.9378,-.4956;2.5294,-.7347,1.2002;.2103,1.9157,-.0154;5.4851,.1167,-.463;4.3466,1.1737,.9911;-2.4074,-1.3914,1.2913;-3.9482,-.5495,-1.2077;-1.0184,-2.5665,-.13;-5.7734,.0186,.3334;-1.0069,-2.4508,-2.6026;-2.6534,-2.6894,-1.9986;-2.1366,-1.0929,-2.5812;1.8862,-2.6278,.3106;-4.6635,-2.7997,.8536;-6.3327,-2.28,1.1549;-5.7123,-2.3238,-.5011;4.2873,-2.7495,.0491;3.8857,-2.108,-1.5683;1.7212,-.0097,1.3288;2.7491,-1.2732,2.1264;-5.4239,-.5078,2.5827;6.2265,-.1686,-1.1942;3.9641,1.9245,1.6646;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.871106 0.000000 6.948160 3.554894 0.000000 4.129151 3.340231 6.105684 0.000000 3.596842 4.738693 6.377313 2.266669 0.000000 3.966964 2.396976 3.319816 3.085933 3.395883 0.000000 3.323515 8.400367 9.353482 5.869552 4.279610 6.442030 0.000000 3.337752 7.569114 8.473144 5.100914 3.199578 5.630186 1.354209 0.000000 4.889934 8.957389 10.373978 5.968932 4.355538 7.355349 2.198046 2.196978 0.000000 4.100444 3.323007 2.923470 4.436893 4.574937 1.492340 6.826919 6.179941 8.104099 0.000000 5.290680 2.551364 2.371613 4.772320 5.506763 2.128394 8.191492 7.537000 9.331683 1.558997 0.000000 2.907454 4.390185 4.434656 4.600425 4.591954 2.418603 5.884607 5.510615 7.422361 1.554223 2.761798 0.000000 5.072521 1.208714 2.912509 3.455306 4.436719 1.410126 7.731834 6.946799 8.543873 2.115278 1.543780 3.259937 0.000000 1.768151 4.324542 5.194387 3.442521 3.215269 2.256744 4.657976 4.207499 5.993405 2.381290 3.591385 1.540386 3.399404 0.000000 2.767685 3.311933 4.707628 2.352820 2.367323 1.415030 5.155211 4.413293 6.043926 2.388902 3.322600 2.416409 2.581528 1.358792 0.000000 6.687387 3.328004 1.431273 6.058286 6.682169 3.323884 9.461789 8.734822 10.607519 2.658684 1.525511 3.990129 2.625803 4.965339 4.662680 0.000000 3.429298 4.850278 5.220932 5.227506 5.686887 3.478966 6.678351 6.538611 8.270631 2.627396 3.142710 1.535849 3.859463 2.561890 3.460801 4.374046 0.000000 1.864088 6.986582 7.411389 5.263132 3.898531 4.768104 2.338135 2.327490 4.282230 4.786769 6.239727 3.742736 6.094967 2.829329 3.698310 7.436946 4.652668 0.000000 7.187009 4.775037 2.449341 7.291157 7.766268 4.419065 10.022958 9.422010 11.404722 3.314908 2.540209 4.296470 3.963173 5.589307 5.622289 1.528557 4.449151 7.831408 0.000000 2.770955 8.348319 8.955948 6.245642 4.851538 6.227716 1.475284 2.335781 3.670713 6.292076 7.707429 5.143631 7.522499 4.199553 5.046949 8.946957 5.822597 1.546549 9.304605 0.000000 2.833041 6.794615 7.229563 4.908486 3.022698 4.626429 2.342316 1.472091 3.666429 4.971085 6.420554 4.363264 6.014892 3.265640 3.594481 7.523460 5.558575 1.542743 8.118818 2.436567 0.000000 3.359363 3.677397 5.732531 1.248997 1.260842 2.558096 4.963683 4.086379 5.282966 3.839461 4.554871 3.919771 3.415604 2.627344 1.531305 5.830634 4.836195 4.199881 6.960145 5.288081 3.725656 0.000000 4.334127 9.179610 10.440632 6.331567 4.838664 7.411478 1.335611 2.158800 1.338103 7.948206 9.238047 7.042206 8.637809 5.717072 6.065322 10.551968 7.757996 3.644836 11.198722 2.657485 3.496779 5.591063 0.000000 4.339405 7.950116 9.174535 5.166986 3.262931 6.275588 2.158424 1.331252 1.341819 7.056587 8.304619 6.538186 7.504589 5.126846 5.050355 9.505160 7.556241 3.627372 10.335907 3.491494 2.643482 4.321087 2.127915 0.000000 4.658506 3.996627 2.577791 5.166712 4.921610 2.138509 7.042732 6.317602 8.358220 1.091750 2.218427 2.203251 2.836710 3.030350 3.048893 2.740108 3.428087 4.944086 3.210428 6.482281 4.981073 4.415508 8.224538 7.230860 0.000000 5.342848 2.964141 3.326995 5.044173 6.040629 2.837674 8.466772 7.957109 9.675326 2.228056 1.094067 2.892504 2.171197 3.811911 3.751756 2.155272 2.699312 6.521603 2.774719 7.903450 6.913093 4.979176 9.486040 8.752514 3.054105 0.000000 3.165142 5.335692 4.771688 5.486109 5.097319 3.212610 5.790410 5.482760 7.522270 2.166476 3.503324 1.095914 4.160924 2.179641 3.190445 4.469538 2.143757 3.488588 4.501469 4.872725 4.208501 4.648952 7.043123 6.635392 2.308732 3.716559 0.000000 7.414926 3.209168 2.080186 6.307843 7.229207 3.937263 10.256992 9.517452 11.289536 3.542835 2.127890 4.832620 2.889625 5.704712 5.271380 1.101334 5.027161 8.315075 2.155780 9.806100 8.381830 6.286958 11.287053 10.206874 3.773025 2.455390 5.432045 0.000000 3.085268 5.778106 6.260708 5.648778 5.963271 4.298019 6.248794 6.328442 7.965508 3.554569 4.223984 2.170866 4.825906 2.830961 3.966444 5.456892 1.093932 4.322414 5.448350 5.273167 5.469121 5.219347 7.301740 7.396668 4.271560 3.769859 2.475303 6.118607 0.000000 4.445507 5.265269 5.075452 6.154428 6.625411 4.065959 7.617511 7.474037 9.283651 2.921476 3.166785 2.181534 4.252352 3.511946 4.334798 4.089850 1.094991 5.486693 3.817432 6.668340 6.396394 5.774128 8.744519 8.535831 3.545227 2.623135 2.485919 4.743980 1.769950 0.000000 3.718294 4.277225 5.309052 4.729785 5.617600 3.399453 7.038170 6.859553 8.423095 2.902322 3.000188 2.190610 3.480146 2.813724 3.394173 4.348960 1.094749 5.218945 4.657758 6.348522 6.016521 4.598161 8.002498 7.741433 3.893389 2.337426 3.070811 4.791257 1.766528 1.776269 0.000000 2.455930 7.201916 7.127787 5.946031 4.645688 4.874631 3.261468 3.255146 5.273916 4.574107 6.081375 3.494235 6.189984 3.033172 4.056249 7.149682 4.428544 1.089295 7.354345 2.188118 2.188300 4.853636 4.591598 4.579054 4.574373 6.376802 2.938435 8.103855 4.109471 5.093490 5.186603 0.000000 6.710675 5.224911 2.727455 7.340633 7.524681 4.336441 9.413249 8.853970 10.913694 3.024540 2.801347 3.821427 4.235830 5.197197 5.413252 2.173626 4.135708 7.157291 1.094675 8.613388 7.491490 6.837005 10.641121 9.848278 2.695412 3.134228 3.782711 3.073249 5.043597 3.491071 4.593015 6.574424 0.000000 8.230888 5.469907 2.719403 8.182248 8.625143 5.305196 10.979873 10.328957 12.335475 4.285973 3.486789 5.342678 4.781690 6.612499 6.575000 2.168493 5.536201 8.784806 1.095240 10.271728 8.995942 7.860349 12.166458 11.225057 4.026991 3.776518 5.474962 2.504209 6.520166 4.863081 5.742362 8.269464 1.773999 0.000000 7.281862 5.049768 3.394954 7.526952 8.207091 4.851036 10.303671 9.814820 11.743878 3.725462 2.811421 4.433828 4.293240 5.789002 5.940820 2.174898 4.200300 8.109360 1.094566 9.519930 8.564210 7.299815 11.460369 10.753625 3.873625 2.599880 4.714847 2.487292 5.154983 3.425400 4.315973 7.647792 1.778081 1.768928 0.000000 3.721129 9.180777 9.458264 7.220853 5.672683 6.959705 2.101631 2.910446 4.179326 6.896695 8.375029 5.768639 8.294330 4.999463 5.880047 9.518214 6.493905 2.200660 9.766922 1.092376 2.911165 6.195993 3.148313 4.035173 6.943119 8.616423 5.311910 10.438460 5.928665 7.236707 7.136481 2.418443 8.987105 10.687807 10.023853 0.000000 2.779563 8.616420 9.424989 6.478570 5.408394 6.612928 2.109998 3.175384 4.125618 6.626148 7.947523 5.326270 7.812412 4.439163 5.396706 9.258048 5.722002 2.232290 9.566218 1.089579 3.374980 5.666624 2.954494 4.187223 6.949416 7.995561 5.131221 10.071627 5.012458 6.578983 6.190701 2.792647 8.912581 10.576509 9.659641 1.785705 0.000000 2.880484 5.814954 6.410179 4.020435 2.093136 3.732442 3.166347 2.081778 4.087617 4.302017 5.664810 3.970462 5.101629 2.786344 2.747841 6.759032 5.264327 2.234959 7.508247 3.371345 1.093309 2.792254 4.170502 2.899439 4.353835 6.234339 4.021277 7.560495 5.371876 6.114656 5.598547 2.813914 6.983929 8.369637 7.997594 3.966000 4.181058 0.000000 3.782772 7.460501 7.448395 5.826210 3.816664 5.224143 2.897621 2.094928 4.160178 5.432182 6.934439 4.932190 6.631848 4.067545 4.392860 7.882804 6.216629 2.198554 8.388749 2.901819 1.093668 4.604544 4.015312 3.135006 5.224996 7.516197 4.578003 8.804353 6.152864 6.943198 6.787051 2.424190 7.674479 9.188968 8.922092 2.976782 3.954780 1.813628 0.000000 7.884573 4.318607 0.966936 7.013495 7.268581 4.282134 10.243258 9.344307 11.262806 3.840541 3.217563 5.314288 3.809836 6.139368 5.668218 1.956507 6.041567 8.282044 2.593641 9.828339 8.075744 6.660955 11.343401 10.041055 3.398189 4.067673 5.568213 2.336353 7.083219 5.781217 6.149286 7.943137 2.969911 2.450482 3.590305 10.283607 10.317986 7.271424 8.221435 0.000000 4.909483 10.015083 11.339520 7.131663 5.816439 8.276013 2.124658 3.193769 2.162642 8.746656 10.018259 7.722960 9.470778 6.451337 6.907249 11.369188 8.287593 4.328957 11.957531 3.083365 4.440982 6.475219 1.079665 3.179850 9.067356 10.181838 7.705256 12.098205 7.714539 9.265742 8.527605 5.210609 11.388997 12.950322 12.151615 3.459335 3.062783 5.166044 4.933452 12.252029 0.000000 4.905847 7.644945 8.906610 4.921223 2.917565 6.132162 3.190690 2.116989 2.168170 7.063756 8.233121 6.778846 7.302917 5.369046 5.026523 9.356361 7.896991 4.293575 10.297351 4.428385 3.057077 4.112562 3.179352 1.078677 7.192386 8.773538 6.943693 10.011188 7.877991 8.859895 8.021835 5.184046 9.869769 11.133853 10.787589 4.955899 5.169069 2.980681 3.451813 9.741382 4.203810 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5045588 0.1228719 0.1108956</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.381947" y3="-0.923408" z3="-1.384394">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.454774" y3="2.178855" z3="-0.166101">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.633912" y3="-0.341376" z3="2.042665">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.238219" y3="2.829141" z3="-0.74752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="1.184868" y3="1.940793" z3="0.777157">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.862893" y3="0.482894" z3="0.411389">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.449545" y3="-0.665732" z3="-0.131664">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.729496" y3="0.006404" z3="0.797587">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.442139" y3="1.262158" z3="0.232308">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.354439" y3="-0.921569" z3="0.303549">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.734876" y3="-0.357191" z3="-0.151748">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.33205" y3="-1.636248" z3="-0.623166">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.090247" y3="1.037764" z3="-0.004259">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.180852" y3="-0.612708" z3="-0.617908">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.548615" y3="0.588731" z3="-0.101477">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.972744" y3="-0.655845" z3="0.688213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.815403" y3="-1.977491" z3="-2.040338">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.354814" y3="-1.696061" z3="0.004504">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.442203" y3="-2.103561" z3="0.546021">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.799459" y3="-1.940331" z3="-0.491148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.523554" y3="-0.735588" z3="1.199871">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.210028" y3="1.916278" z3="-0.022148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.483569" y3="0.115365" z3="-0.456678">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.339811" y3="1.1735" z3="0.992306">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.399978" y3="-1.391562" z3="1.288081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.950607" y3="-0.552649" z3="-1.206424">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-1.017615" y3="-2.568382" z3="-0.140236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.771752" y3="0.016778" z3="0.338858">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-1.007058" y3="-2.442223" z3="-2.612466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.65357" y3="-2.68143" z3="-2.008877">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.135186" y3="-1.083057" z3="-2.584581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.882499" y3="-2.629199" z3="0.309401">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.658262" y3="-2.7996" z3="0.861035">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.326702" y3="-2.280898" z3="1.167155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.712062" y3="-2.327286" z3="-0.490928">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.285102" y3="-2.752805" z3="0.054108">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.888784" y3="-2.109451" z3="-1.563856">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.71548" y3="-0.009588" z3="1.323581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.738126" y3="-1.273336" z3="2.127715">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.415374" y3="-0.50556" z3="2.587974">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.227146" y3="-0.170145" z3="-1.185507">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.955524" y3="1.924818" z3="1.664145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3819,-.9234,-1.3844;-3.4548,2.1789,-.1661;-4.6339,-.3414,2.0427;-.2382,2.8291,-.7475;1.1849,1.9408,.7772;-1.8629,.4829,.4114;4.4495,-.6657,-.1317;3.7295,.0064,.7976;5.4421,1.2622,.2323;-2.3544,-.9216,.3035;-3.7349,-.3572,-.1517;-1.332,-1.6362,-.6232;-3.0902,1.0378,-.0043;-.1809,-.6127,-.6179;-.5486,.5887,-.1015;-4.9727,-.6558,.6882;-1.8154,-1.9775,-2.0403;2.3548,-1.6961,.0045;-5.4422,-2.1036,.546;3.7995,-1.9403,-.4911;2.5236,-.7356,1.1999;.21,1.9163,-.0221;5.4836,.1154,-.4567;4.3398,1.1735,.9923;-2.4,-1.3916,1.2881;-3.9506,-.5526,-1.2064;-1.0176,-2.5684,-.1402;-5.7718,.0168,.3389;-1.0071,-2.4422,-2.6125;-2.6536,-2.6814,-2.0089;-2.1352,-1.0831,-2.5846;1.8825,-2.6292,.3094;-4.6583,-2.7996,.861;-6.3267,-2.2809,1.1672;-5.7121,-2.3273,-.4909;4.2851,-2.7528,.0541;3.8888,-2.1095,-1.5639;1.7155,-.0096,1.3236;2.7381,-1.2733,2.1277;-5.4154,-.5056,2.588;6.2271,-.1701,-1.1855;3.9555,1.9248,1.6641;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.873852 0.000000 6.947953 3.552546 0.000000 4.136686 3.332739 6.095854 0.000000 3.593716 4.740536 6.377148 2.266932 0.000000 3.966297 2.396636 3.319493 3.080181 3.398250 0.000000 3.323536 8.400662 9.345700 5.879502 4.275283 6.439031 0.000000 3.337152 7.567164 8.462728 5.108617 3.196469 5.625923 1.354158 0.000000 4.886265 8.952883 10.362216 5.973438 4.345315 7.348661 2.198745 2.197636 0.000000 4.099968 3.323242 2.925260 4.432940 4.576474 1.491899 6.822687 6.174097 8.096936 0.000000 5.293571 2.551508 2.371490 4.768047 5.508855 2.127719 8.190260 7.533279 9.326704 1.559303 0.000000 2.907471 4.389747 4.436851 4.599090 4.592494 2.417201 5.883053 5.507821 7.417697 1.553978 2.762570 0.000000 5.074592 1.208785 2.911156 3.448991 4.438771 1.409625 7.730886 6.943743 8.538614 2.115454 1.543761 3.259546 0.000000 1.768156 4.326143 5.194421 3.444766 3.214307 2.255894 4.656160 4.204492 5.987990 2.380957 3.593561 1.540428 3.400765 0.000000 2.767582 3.313372 4.706602 2.352266 2.367495 1.414765 5.153270 4.410176 6.037719 2.388735 3.324088 2.415877 2.582824 1.358457 0.000000 6.689498 3.327102 1.431167 6.051627 6.683309 3.323331 9.457897 8.728088 10.599829 2.659717 1.525465 3.991936 2.625190 4.966894 4.663207 0.000000 3.429928 4.845154 5.224154 5.221360 5.682681 3.473718 6.679321 6.537245 8.266328 2.626659 3.142693 1.535726 3.855205 2.560800 3.456795 4.377275 0.000000 1.863465 6.985369 7.404833 5.269422 3.897752 4.764708 2.338380 2.327471 4.281884 4.781874 6.237091 3.740389 6.092829 2.826774 3.696133 7.432537 4.653095 0.000000 7.189456 4.774524 2.449199 7.286031 7.767129 4.418069 10.018647 9.414632 11.397166 3.315145 2.540011 4.298690 3.962629 5.590991 5.622713 1.528559 4.456324 7.826414 0.000000 2.770629 8.348487 8.949783 6.254313 4.848485 6.224855 1.475278 2.335703 3.671202 6.288074 7.706343 5.142205 7.521579 4.197800 5.045170 8.943843 5.824779 1.546719 9.301111 0.000000 2.831425 6.789717 7.217688 4.911926 3.022215 4.620316 2.342500 1.471965 3.666784 4.963144 6.413891 4.358937 6.009116 3.260864 3.589644 7.514162 5.555883 1.542687 8.108770 2.436983 0.000000 3.360494 3.677015 5.729242 1.249164 1.260874 2.557253 4.965106 4.087327 5.278978 3.838742 4.554967 3.919140 3.415249 2.627448 1.531082 5.829369 4.830828 4.201167 6.959140 5.289367 3.725336 0.000000 4.331629 9.178039 10.431623 6.339403 4.830463 7.406694 1.336020 2.159126 1.338490 7.942767 9.235584 7.039071 8.635151 5.713296 6.061145 10.547038 7.756483 3.644593 11.193816 2.657686 3.497137 5.589485 0.000000 4.335284 7.944067 9.161104 5.169768 3.254027 6.268009 2.158268 1.331358 1.341858 7.048169 8.297738 6.532568 7.497822 5.120520 5.043315 9.495402 7.550652 3.626341 10.325991 3.491211 2.643197 4.316937 2.127766 0.000000 4.654487 3.996888 2.581230 5.160544 4.921053 2.137904 7.032672 6.305977 8.345998 1.091911 2.219230 2.202999 2.836942 3.027198 3.046306 2.742306 3.429783 4.934403 3.211343 6.473007 4.967822 4.412554 8.213728 7.217464 0.000000 5.348389 2.964665 3.326879 5.042710 6.043588 2.836938 8.469383 7.956921 9.674045 2.227975 1.094114 2.893305 2.171366 3.815889 3.754625 2.155241 2.699015 6.521661 2.775113 7.905745 6.909304 4.980862 9.487467 8.749002 3.054632 0.000000 3.164138 5.336354 4.775167 5.487213 5.101490 3.213887 5.788782 5.481250 7.519325 2.167034 3.503285 1.095886 4.161560 2.180138 3.191994 4.470701 2.143831 3.486426 4.501553 4.870502 4.206530 4.651153 7.040456 6.632220 2.309961 3.715155 0.000000 7.418150 3.209042 2.079883 6.301555 7.231079 3.937220 10.254859 9.512321 11.283336 3.543977 2.128241 4.834143 2.889742 5.706997 5.272778 1.101310 5.028954 8.311839 2.155773 9.804451 8.373738 6.286502 11.283831 10.198466 3.775355 2.455344 5.432716 0.000000 3.085823 5.773247 6.264014 5.644149 5.958600 4.293304 6.251786 6.329233 7.962872 3.554007 4.224154 2.170836 4.822108 2.829842 3.962565 5.460063 1.093950 4.325214 5.455386 5.277736 5.469163 5.214170 7.301843 7.393027 4.272982 3.769870 2.475469 6.120401 0.000000 4.445899 5.259290 5.080611 6.147466 6.622729 4.061503 7.618479 7.472900 9.279833 2.921286 3.165476 2.181517 4.247539 3.511231 4.331625 4.093392 1.095009 5.487127 3.825952 6.670406 6.394137 5.769420 8.743250 8.530825 3.549366 2.618768 2.486152 4.745024 1.769898 0.000000 3.719699 4.269710 5.310850 4.720018 5.609609 3.391486 7.039151 6.857149 8.417289 2.900938 3.000760 2.190478 3.473914 2.812197 3.387903 4.352633 1.094748 5.219122 4.666739 6.351172 6.012210 4.589346 8.000601 7.733806 3.893943 2.340171 3.070827 4.793823 1.766574 1.776219 0.000000 2.455446 7.199303 7.120530 5.950462 4.646538 4.870676 3.261820 3.255169 5.274433 4.568115 6.076971 3.491268 6.186534 3.030438 4.053912 7.143667 4.429501 1.089399 7.347349 2.188642 2.188527 4.854734 4.592081 4.578784 4.563898 6.374551 2.935393 8.098741 4.113612 5.094415 5.187242 0.000000 6.711645 5.223831 2.727582 7.335323 7.524662 4.334863 9.406965 8.844895 10.904645 3.024135 2.800666 3.823602 4.234710 5.197785 5.412617 2.173581 4.144355 7.150851 1.094654 8.608123 7.480203 6.835185 10.634384 9.837077 2.695326 3.134319 3.782898 3.073193 5.052149 3.502735 4.602684 6.566193 0.000000 8.232646 5.469455 2.719155 8.176070 8.625455 5.304274 10.973751 10.319664 12.326103 4.286312 3.486792 5.344846 4.781252 6.613681 6.574990 2.168729 5.543635 8.778526 1.095260 10.266698 8.984214 7.858726 12.159828 11.213294 4.027990 3.777109 5.475247 2.504667 6.527646 4.872321 5.751447 8.261237 1.773825 0.000000 7.286571 5.050363 3.394899 7.524463 8.209274 4.850504 10.302820 9.810678 11.739820 3.725703 2.811686 4.436161 4.293520 5.792252 5.942728 2.175012 4.207966 8.106687 1.094595 9.519389 8.556733 7.300598 11.459052 10.746890 3.874319 2.600768 4.713698 2.487316 5.162479 3.432778 4.327300 7.642580 1.778027 1.768947 0.000000 3.720792 9.180165 9.450828 7.229188 5.671342 6.956669 2.101768 2.911133 4.182155 6.891962 8.372657 5.766957 8.292623 4.997636 5.878340 9.513518 6.496459 2.201177 9.761350 1.092368 2.912901 6.197772 3.150179 4.037212 6.932962 8.617222 5.309481 10.435132 5.934142 7.239210 7.139386 2.419288 8.979815 10.680447 10.021049 0.000000 2.779054 8.618070 9.421754 6.487546 5.403331 6.610873 2.109491 3.174686 4.123938 6.623904 7.948878 5.325967 7.813078 4.438130 5.395299 9.258049 5.725575 2.232423 9.566553 1.089625 3.374840 5.667151 2.952793 4.185111 6.942438 8.000465 5.129334 10.073090 5.017928 6.582371 6.195449 2.793638 8.911139 10.575632 9.663068 1.785716 0.000000 2.877402 5.808611 6.398590 4.020545 2.093828 3.725505 3.165971 2.081630 4.086098 4.293765 5.657191 3.965260 5.094617 2.780146 2.741332 6.749347 5.258873 2.234480 7.498117 3.371050 1.093327 2.790400 4.169344 2.897681 4.341441 6.228996 4.019950 7.551756 5.368650 6.110043 5.590501 2.814040 6.972998 8.358231 7.989528 3.967336 4.179709 0.000000 3.781082 7.451927 7.431200 5.827171 3.816706 5.215313 2.898780 2.095182 4.163290 5.420843 6.923513 4.925991 6.622419 4.061442 4.386257 7.868353 6.213142 2.198556 8.373101 2.903403 1.093667 4.602915 4.018088 3.137125 5.207598 7.508330 4.574531 8.791043 6.153212 6.940066 6.781674 2.424196 7.657710 9.171095 8.909196 2.980236 3.956109 1.813696 0.000000 7.884026 4.316823 0.966954 7.003477 7.268211 4.281902 10.234193 9.332537 11.249870 3.842002 3.217478 5.316334 3.808902 6.139167 5.667095 1.956425 6.045464 8.274504 2.593048 9.821034 8.062650 6.657566 11.333244 10.026417 3.401078 4.067581 5.571234 2.336314 7.087205 5.787315 6.152109 7.934777 2.969538 2.449708 3.589755 10.274717 10.313948 7.259047 8.202493 0.000000 4.907435 10.014817 11.331946 7.140623 5.807984 8.271957 2.125101 3.194071 2.162852 8.742169 10.017261 7.720565 9.469330 6.448292 6.903763 11.365925 8.287330 4.328915 11.954496 3.083724 4.441436 6.473969 1.079636 3.179667 9.057470 10.184959 7.702642 12.096784 7.715715 9.265614 8.527568 5.211300 11.383957 12.945633 12.152382 3.460970 3.061370 5.164923 4.936368 12.243363 0.000000 4.901967 7.637201 8.891419 4.921525 2.909216 6.123930 3.190601 2.117150 2.167787 7.054698 8.224797 6.772844 7.294746 5.362500 5.018945 9.344850 7.890172 4.292720 10.285684 4.428207 3.056771 4.107602 3.179141 1.078667 7.178594 8.768404 6.940947 10.000845 7.873225 8.853741 8.012224 5.183805 9.857100 11.120217 10.779004 4.957923 5.167182 2.979212 3.453280 9.724913 4.203529 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5039834 0.1229834 0.1110194</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.383999" y3="-0.920571" z3="-1.384471">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.456158" y3="2.17738" z3="-0.163601">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.631778" y3="-0.343064" z3="2.044324">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.241711" y3="2.829648" z3="-0.750792">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="1.179631" y3="1.94455" z3="0.777811">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.863035" y3="0.481576" z3="0.408689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.450092" y3="-0.670201" z3="-0.127553">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.730717" y3="0.006375" z3="0.79883">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.445667" y3="1.257818" z3="0.22939">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.353214" y3="-0.923117" z3="0.301276">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.735251" y3="-0.35915" z3="-0.150872">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.331291" y3="-1.635416" z3="-0.627449">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.091349" y3="1.036115" z3="-0.002935">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.180157" y3="-0.611751" z3="-0.620015">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.54902" y3="0.589124" z3="-0.104057">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.971774" y3="-0.658642" z3="0.690516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.814735" y3="-1.970307" z3="-2.046136">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.35158" y3="-1.693313" z3="0.007049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.439393" y3="-2.107164" z3="0.549726">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.796429" y3="-1.943348" z3="-0.48565">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.520763" y3="-0.72949" z3="1.199811">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.207206" y3="1.91778" z3="-0.024456">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.486131" y3="0.107721" z3="-0.454726">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.343243" y3="1.17307" z3="0.9897">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.395382" y3="-1.393705" z3="1.285849">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.952525" y3="-0.55391" z3="-1.205393">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-1.017339" y3="-2.569663" z3="-0.148428">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.772243" y3="0.012503" z3="0.341815">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-1.006277" y3="-2.432039" z3="-2.620582">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.652601" y3="-2.674802" z3="-2.018184">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.134907" y3="-1.0735" z3="-2.586213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.875424" y3="-2.624101" z3="0.313421">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.653786" y3="-2.801961" z3="0.863265">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.322201" y3="-2.285977" z3="1.172875">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.711133" y3="-2.33178" z3="-0.486573">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.279073" y3="-2.756679" z3="0.060892">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.886236" y3="-2.11383" z3="-1.558154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.714877" y3="-0.00006" z3="1.318601">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.730164" y3="-1.264855" z3="2.130202">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.412486" y3="-0.507595" z3="2.590617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.229792" y3="-0.181721" z3="-1.181875">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.961225" y3="1.927253" z3="1.659653">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.384,-.9206,-1.3845;-3.4562,2.1774,-.1636;-4.6318,-.3431,2.0443;-.2417,2.8296,-.7508;1.1796,1.9446,.7778;-1.863,.4816,.4087;4.4501,-.6702,-.1276;3.7307,.0064,.7988;5.4457,1.2578,.2294;-2.3532,-.9231,.3013;-3.7353,-.3592,-.1509;-1.3313,-1.6354,-.6274;-3.0913,1.0361,-.0029;-.1802,-.6118,-.62;-.549,.5891,-.1041;-4.9718,-.6586,.6905;-1.8147,-1.9703,-2.0461;2.3516,-1.6933,.007;-5.4394,-2.1072,.5497;3.7964,-1.9433,-.4857;2.5208,-.7295,1.1998;.2072,1.9178,-.0245;5.4861,.1077,-.4547;4.3432,1.1731,.9897;-2.3954,-1.3937,1.2858;-3.9525,-.5539,-1.2054;-1.0173,-2.5697,-.1484;-5.7722,.0125,.3418;-1.0063,-2.432,-2.6206;-2.6526,-2.6748,-2.0182;-2.1349,-1.0735,-2.5862;1.8754,-2.6241,.3134;-4.6538,-2.802,.8633;-6.3222,-2.286,1.1729;-5.7111,-2.3318,-.4866;4.2791,-2.7567,.0609;3.8862,-2.1138,-1.5582;1.7149,-.0001,1.3186;2.7302,-1.2649,2.1302;-5.4125,-.5076,2.5906;6.2298,-.1817,-1.1819;3.9612,1.9273,1.6597;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.874942 0.000000 6.948362 3.551007 0.000000 4.136257 3.332104 6.095200 0.000000 3.595296 4.736138 6.372575 2.267210 0.000000 3.965434 2.396103 3.319831 3.080021 3.396227 0.000000 3.323170 8.403500 9.343685 5.886458 4.283985 6.439699 0.000000 3.336633 7.569063 8.461956 5.113940 3.203905 5.627440 1.354046 0.000000 4.883346 8.957819 10.363962 5.981444 4.355620 7.351994 2.199053 2.198050 0.000000 4.099819 3.323504 2.926864 4.432667 4.575106 1.491635 6.821499 6.174604 8.098407 0.000000 5.295628 2.551870 2.371267 4.767930 5.506863 2.127233 8.191284 7.534999 9.329975 1.559654 0.000000 2.908072 4.389490 4.438667 4.597737 4.592998 2.416192 5.882680 5.509417 7.418364 1.553778 2.763151 0.000000 5.076023 1.208877 2.909695 3.449128 4.435774 1.409150 7.733071 6.945774 8.543054 2.115651 1.543781 3.259586 0.000000 1.768148 4.326632 5.194981 3.444433 3.215216 2.255143 4.656731 4.205965 5.988879 2.380736 3.594801 1.540472 3.401660 0.000000 2.766804 3.313239 4.706743 2.352159 2.367088 1.414606 5.155345 4.412590 6.041077 2.388783 3.324677 2.415463 2.583305 1.358077 0.000000 6.691042 3.327105 1.431078 6.051366 6.680121 3.323219 9.457322 8.728536 10.602289 2.660510 1.525326 3.993024 2.624705 4.967825 4.663585 0.000000 3.430983 4.841643 5.226425 5.214583 5.680405 3.469903 6.679767 6.538588 8.265122 2.626196 3.142647 1.535755 3.852660 2.559558 3.453171 4.379113 0.000000 1.862705 6.981490 7.398713 5.268458 3.898921 4.759667 2.338511 2.327633 4.281587 4.776490 6.233332 3.737576 6.088953 2.823593 3.692606 7.427596 4.653006 0.000000 7.190814 4.774869 2.449105 7.285558 7.764012 4.417217 10.016261 9.413821 11.397818 3.314845 2.539782 4.299394 3.962190 5.591432 5.622557 1.528629 4.460423 7.820807 0.000000 2.770157 8.347702 8.944069 6.257664 4.853835 6.221706 1.475266 2.335728 3.671339 6.283171 7.703762 5.138914 7.520087 4.195765 5.044002 8.939532 5.824174 1.546887 9.295120 0.000000 2.829710 6.784716 7.212584 4.909539 3.021127 4.616301 2.342589 1.471826 3.666902 4.959890 6.410865 4.358657 6.004978 3.258925 3.586416 7.510161 5.556287 1.542809 8.104609 2.437530 0.000000 3.360167 3.675186 5.727743 1.249237 1.260936 2.556598 4.970952 4.092237 5.285968 3.838301 4.554488 3.918644 3.414420 2.627407 1.530863 5.828463 4.826246 4.199920 6.958013 5.291836 3.722823 0.000000 4.330045 9.183288 10.431709 6.348599 4.841387 7.409149 1.336256 2.159433 1.338796 7.942889 9.238191 7.038863 8.639398 5.714173 6.064467 10.548302 7.755863 3.644498 11.192931 2.657617 3.497402 5.597186 0.000000 4.333260 7.947918 9.163073 5.176424 3.263207 6.271652 2.158082 1.331464 1.341861 7.050565 8.301244 6.534760 7.501816 5.122296 5.046933 9.498117 7.551013 3.626083 10.327317 3.491092 2.642974 4.323182 2.127799 0.000000 4.651686 3.997349 2.584686 5.159740 4.917597 2.137635 7.027210 6.302896 8.344382 1.092069 2.220297 2.202594 2.837140 3.025060 3.045078 2.744547 3.430997 4.925316 3.211994 6.463655 4.961558 4.410929 8.209879 7.217000 0.000000 5.352103 2.965072 3.326636 5.042347 6.042717 2.836100 8.472264 7.960091 9.678170 2.228040 1.094146 2.893881 2.171569 3.817954 3.755438 2.155066 2.698736 6.519969 2.775575 7.905369 6.907915 4.980686 9.491548 8.753323 3.055526 0.000000 3.164448 5.336898 4.778083 5.487895 5.105165 3.214908 5.788022 5.484278 7.520824 2.167466 3.503343 1.095830 4.162249 2.180983 3.193622 4.471396 2.143913 3.484505 4.500654 4.866041 4.209768 4.653174 7.039696 6.636205 2.310633 3.714264 0.000000 7.420411 3.210356 2.079813 6.302133 7.228516 3.937818 10.255854 9.513945 11.287380 3.544966 2.128428 4.834994 2.890299 5.708435 5.273836 1.101262 5.029485 8.307730 2.155691 9.801507 8.370224 6.286338 11.286918 10.202437 3.777806 2.454801 5.432958 0.000000 3.086410 5.769351 6.266533 5.636135 5.956660 4.289483 6.252298 6.330668 7.960211 3.553637 4.224173 2.170904 4.819512 2.828107 3.958460 5.462003 1.093979 4.327281 5.459754 5.278517 5.471205 5.208967 7.300183 7.392449 4.274102 3.769683 2.476007 6.120949 0.000000 4.446691 5.256315 5.085088 6.141469 6.621330 4.059046 7.618476 7.474693 9.278957 2.921973 3.165632 2.181818 4.245543 3.510561 4.329221 4.096404 1.095041 5.486959 3.831786 6.668859 6.395579 5.765871 8.742185 8.532017 3.553028 2.616986 2.486187 4.745879 1.769803 0.000000 3.721596 4.264150 5.311288 4.710363 5.604592 3.385501 7.040588 6.857857 8.415924 2.899632 3.000381 2.190504 3.469667 2.810729 3.382375 4.353950 1.094741 5.218979 4.671424 6.352146 6.010623 4.582123 8.001171 7.733089 3.894001 2.341020 3.070873 4.794055 1.766527 1.776185 0.000000 2.454863 7.190795 7.109349 5.946275 4.644605 4.861109 3.262070 3.255324 5.274750 4.557946 6.068380 3.485076 6.177872 3.024280 4.046854 7.133678 4.428569 1.089474 7.336867 2.189109 2.188995 4.850340 4.592396 4.578863 4.549645 6.368476 2.929906 8.089456 4.116973 5.093326 5.186039 0.000000 6.711690 5.223274 2.727923 7.333935 7.520998 4.333191 9.402484 8.842555 10.903327 3.022997 2.799911 3.823876 4.233478 5.197162 5.411494 2.173655 4.149273 7.144043 1.094636 8.600170 7.475463 6.833246 10.631145 9.836838 2.694838 3.134461 3.781696 3.073119 5.057504 3.510507 4.607736 6.554734 0.000000 8.233461 5.470093 2.718799 8.175724 8.621538 5.303536 10.970148 10.317750 12.326044 4.286016 3.486729 5.345426 4.780923 6.613788 6.574677 2.168995 5.547876 8.771823 1.095280 10.259375 8.978941 7.857375 12.157943 11.213842 4.028502 3.777774 5.474293 2.505219 6.532281 4.878525 5.756238 8.249488 1.773615 0.000000 7.289625 5.051905 3.394914 7.524940 8.207819 4.850188 10.302438 9.811613 11.741890 3.725675 2.812130 4.437092 4.294170 5.793790 5.943518 2.175220 4.212460 8.103001 1.094627 9.515493 8.554258 7.300620 11.459969 10.749596 3.875006 2.601966 4.711966 2.487092 5.167177 3.437748 4.333722 7.634218 1.777952 1.768974 0.000000 3.720460 9.177643 9.442607 7.232107 5.676448 6.952176 2.101939 2.911995 4.183959 6.885272 8.367937 5.762572 8.289300 4.994906 5.876401 9.506649 6.495571 2.202017 9.752406 1.092319 2.915182 6.199835 3.150815 4.038530 6.921457 8.614806 5.303845 10.429585 5.935539 7.237222 7.139987 2.420512 8.968937 10.669822 10.014214 0.000000 2.777629 8.618005 9.416476 6.490743 5.408594 6.607474 2.109174 3.174087 4.122517 6.618611 7.946471 5.321435 7.812013 4.435301 5.393686 9.254104 5.723617 2.232009 9.560887 1.089676 3.374505 5.669336 2.951695 4.183793 6.932939 8.000248 5.122515 10.070620 5.016641 6.578960 6.196237 2.794017 8.903300 10.568838 9.659465 1.785745 0.000000 2.874616 5.803255 6.397215 4.014707 2.088169 3.723085 3.165731 2.081782 4.085025 4.293757 5.656163 3.967447 5.091161 2.779127 2.737941 6.748298 5.259418 2.234427 7.497642 3.371134 1.093449 2.784777 4.168772 2.897019 4.340224 6.228703 4.027410 7.550578 5.369950 6.112548 5.587547 2.814560 6.972649 8.357109 7.990068 3.969368 4.178341 0.000000 3.779368 7.441847 7.419924 5.822123 3.812269 5.206832 2.899866 2.095157 4.165443 5.413177 6.915575 4.923146 6.613225 4.057118 4.379749 7.858756 6.212533 2.198791 8.363555 2.905161 1.093660 4.597503 4.020096 3.137873 5.196225 7.502665 4.575856 8.781850 6.155750 6.940549 6.778651 2.424628 7.647911 9.159939 8.901760 2.984410 3.957427 1.813618 0.000000 7.884421 4.315324 0.966959 7.002794 7.263283 4.282274 10.231586 9.331282 11.251292 3.843551 3.217284 5.318278 3.807522 6.139729 5.667218 1.956380 6.048373 8.268100 2.593180 9.814730 8.057296 6.655974 11.332810 10.028051 3.404487 4.067348 5.574209 2.336030 7.090470 5.792651 6.153239 7.923311 2.970436 2.449534 3.589699 10.265681 10.308177 7.257749 8.190737 0.000000 4.905981 10.020971 11.331730 7.150840 5.819409 8.274279 2.125450 3.194362 2.163052 8.741704 10.019806 7.719494 9.474001 6.448880 6.907111 11.366987 8.286156 4.328854 11.953060 3.083717 4.441776 6.482211 1.079608 3.179664 9.052744 10.189144 7.700077 12.099925 7.713268 9.263464 8.528518 5.211683 11.379829 12.943155 12.152854 3.461239 3.060536 5.164284 4.938667 12.242570 0.000000 4.900907 7.642277 8.896180 4.928411 2.918083 6.129999 3.190590 2.117527 2.167340 7.059882 8.230515 6.777475 7.300488 5.366048 5.024298 9.350110 7.892119 4.293082 10.289805 4.428434 3.056905 4.114483 3.179093 1.078688 7.181569 8.774514 6.948202 10.007165 7.874002 8.857093 8.012161 5.184373 9.859924 11.123718 10.784255 4.959463 5.166261 2.979418 3.453473 9.729421 4.203385 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5038352 0.1229642 0.1110331</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.384997" y3="-0.92241" z3="-1.383702">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.454592" y3="2.177469" z3="-0.162777">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.630304" y3="-0.343281" z3="2.044928">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.241692" y3="2.828849" z3="-0.748778">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="1.182148" y3="1.942273" z3="0.776647">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.862269" y3="0.480623" z3="0.408086">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.449315" y3="-0.670351" z3="-0.126703">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.729459" y3="0.006862" z3="0.798789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.443124" y3="1.259057" z3="0.227301">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.352931" y3="-0.923804" z3="0.300381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.735027" y3="-0.359084" z3="-0.150739">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.331545" y3="-1.635942" z3="-0.628937">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.090355" y3="1.035893" z3="-0.002874">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.179562" y3="-0.613178" z3="-0.6201">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.547925" y3="0.587749" z3="-0.103919">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.971082" y3="-0.658544" z3="0.691269">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.814638" y3="-1.967951" z3="-2.048493">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.351465" y3="-1.694422" z3="0.008888">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.438886" y3="-2.107038" z3="0.550436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.796582" y3="-1.944593" z3="-0.482846">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.520194" y3="-0.729507" z3="1.200826">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.208289" y3="1.916355" z3="-0.023978">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.484182" y3="0.108335" z3="-0.455761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.340254" y3="1.174881" z3="0.987072">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.394566" y3="-1.394861" z3="1.284775">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.953024" y3="-0.553369" z3="-1.205186">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-1.018753" y3="-2.571275" z3="-0.151367">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.771743" y3="0.012615" z3="0.343061">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-1.005868" y3="-2.428276" z3="-2.623657">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.652374" y3="-2.67269" z3="-2.022412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.134735" y3="-1.070051" z3="-2.586789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.875099" y3="-2.624965" z3="0.315661">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.653124" y3="-2.802028" z3="0.863161">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.321226" y3="-2.28599" z3="1.17421">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.711444" y3="-2.331345" z3="-0.485718">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.279588" y3="-2.756689" z3="0.06517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.886542" y3="-2.116854" z3="-1.555046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.714151" y3="-0.000126" z3="1.319099">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.730182" y3="-1.263903" z3="2.131651">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.410754" y3="-0.507663" z3="2.591633">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.227884" y3="-0.181435" z3="-1.182735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.957461" y3="1.929867" z3="1.655676">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.385,-.9224,-1.3837;-3.4546,2.1775,-.1628;-4.6303,-.3433,2.0449;-.2417,2.8288,-.7488;1.1821,1.9423,.7766;-1.8623,.4806,.4081;4.4493,-.6704,-.1267;3.7295,.0069,.7988;5.4431,1.2591,.2273;-2.3529,-.9238,.3004;-3.735,-.3591,-.1507;-1.3315,-1.6359,-.6289;-3.0904,1.0359,-.0029;-.1796,-.6132,-.6201;-.5479,.5877,-.1039;-4.9711,-.6585,.6913;-1.8146,-1.968,-2.0485;2.3515,-1.6944,.0089;-5.4389,-2.107,.5504;3.7966,-1.9446,-.4828;2.5202,-.7295,1.2008;.2083,1.9164,-.024;5.4842,.1083,-.4558;4.3403,1.1749,.9871;-2.3946,-1.3949,1.2848;-3.953,-.5534,-1.2052;-1.0188,-2.5713,-.1514;-5.7717,.0126,.3431;-1.0059,-2.4283,-2.6237;-2.6524,-2.6727,-2.0224;-2.1347,-1.0701,-2.5868;1.8751,-2.625,.3157;-4.6531,-2.802,.8632;-6.3212,-2.286,1.1742;-5.7114,-2.3313,-.4857;4.2796,-2.7567,.0652;3.8865,-2.1169,-1.555;1.7142,-.0001,1.3191;2.7302,-1.2639,2.1317;-5.4108,-.5077,2.5916;6.2279,-.1814,-1.1827;3.9575,1.9299,1.6557;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.875502 0.000000 6.948002 3.551119 0.000000 4.137775 3.330228 6.093203 0.000000 3.593698 4.736792 6.373139 2.267214 0.000000 3.965318 2.395968 3.319651 3.078761 3.397166 0.000000 3.321690 8.401376 9.341436 5.885314 4.279745 6.437922 0.000000 3.335164 7.566157 8.459379 5.111616 3.199234 5.625346 1.354011 0.000000 4.880832 8.953490 10.360753 5.977801 4.350227 7.348974 2.198997 2.198008 0.000000 4.099785 3.323563 2.926923 4.431757 4.575807 1.491564 6.820351 6.173331 8.096214 0.000000 5.296430 2.552037 2.371229 4.766965 5.507713 2.127114 8.190294 7.533529 9.327365 1.559682 0.000000 2.908333 4.389389 4.438731 4.597445 4.593250 2.415975 5.882427 5.509172 7.416893 1.553706 2.763289 0.000000 5.076456 1.208898 2.909821 3.447599 4.436605 1.409045 7.731314 6.943445 8.539499 2.115697 1.543835 3.259459 0.000000 1.768207 4.326971 5.194644 3.444991 3.214885 2.255010 4.655449 4.204538 5.986480 2.380611 3.595302 1.540517 3.401929 0.000000 2.766697 3.313516 4.706398 2.352052 2.367126 1.414612 5.153226 4.410025 6.037634 2.388786 3.325102 2.415473 2.583601 1.358072 0.000000 6.691402 3.327478 1.431054 6.050022 6.680852 3.323042 9.455849 8.726610 10.599440 2.660427 1.525282 3.993053 2.624897 4.967938 4.663677 0.000000 3.431147 4.840442 5.227200 5.212744 5.679084 3.468798 6.679383 6.537883 8.262441 2.626254 3.142899 1.535822 3.851635 2.559139 3.452178 4.379952 0.000000 1.862625 6.980781 7.397036 5.268634 3.896448 4.758754 2.338393 2.327483 4.281249 4.775998 6.233297 3.738289 6.088363 2.823263 3.691543 7.426869 4.654466 0.000000 7.190939 4.775259 2.449112 7.284350 7.764417 4.416835 10.014944 9.412162 11.395312 3.314466 2.539709 4.299197 3.962293 5.591266 5.622415 1.528662 4.461944 7.820044 0.000000 2.769864 8.347057 8.942385 6.258125 4.850702 6.220774 1.475328 2.335652 3.671346 6.282671 7.703847 5.139484 7.519546 4.195381 5.042924 8.938926 5.825598 1.546852 9.294510 0.000000 2.829430 6.782919 7.210499 4.908245 3.018063 4.615066 2.342507 1.471800 3.666832 4.959425 6.410283 4.359536 6.003648 3.258525 3.584812 7.508921 5.557211 1.542805 8.103551 2.437284 0.000000 3.360369 3.674798 5.726981 1.249185 1.260981 2.556407 4.968692 4.089223 5.281920 3.838172 4.554496 3.918658 3.414192 2.627609 1.530831 5.828170 4.824804 4.199047 6.957602 5.290872 3.720973 0.000000 4.327451 9.179806 10.428817 6.346077 4.836285 7.406428 1.336256 2.159455 1.338813 7.940869 9.236088 7.037516 8.636443 5.711881 6.061348 10.545915 7.753743 3.644138 11.190787 2.657675 3.497354 5.593784 0.000000 4.330444 7.942730 9.159409 5.171365 3.256808 6.268055 2.158070 1.331461 1.341886 7.048031 8.298061 6.533110 7.497550 5.119462 5.042745 9.494731 7.548162 3.625607 10.324399 3.491039 2.642916 4.318002 2.127876 0.000000 4.650707 3.997575 2.584990 5.158481 4.918084 2.137607 7.025375 6.301166 8.342117 1.092089 2.220443 2.202368 2.837380 3.024206 3.044552 2.744602 3.431534 4.923661 3.211593 6.461966 4.960304 4.410424 8.207542 7.214569 0.000000 5.353740 2.965219 3.326573 5.041992 6.043665 2.836025 8.472078 7.959292 9.675976 2.228061 1.094133 2.894163 2.171522 3.819021 3.756280 2.155004 2.699056 6.520933 2.775586 7.906559 6.908145 4.981096 9.490013 8.750503 3.055618 0.000000 3.164715 5.337042 4.778176 5.488357 5.106593 3.215367 5.789118 5.485900 7.521348 2.167549 3.503132 1.095792 4.162361 2.181306 3.194270 4.470959 2.143951 3.486104 4.499513 4.867243 4.212443 4.654104 7.039966 6.636918 2.310696 3.713816 0.000000 7.421247 3.211177 2.079880 6.301171 7.229674 3.937924 10.254616 9.512127 11.284514 3.544994 2.128429 4.835067 2.890781 5.708922 5.274358 1.101255 5.029995 8.307356 2.155626 9.801308 8.369153 6.286472 11.284641 10.198927 3.777980 2.454616 5.432482 0.000000 3.085669 5.767588 6.267330 5.633515 5.954089 4.287958 6.251728 6.329799 7.957002 3.553592 4.224357 2.170891 4.818097 2.826943 3.956665 5.462930 1.093994 4.329032 5.461658 5.280203 5.472258 5.206566 7.297596 7.389257 4.274608 3.770023 2.476456 6.121514 0.000000 4.446548 5.256029 5.087398 6.140070 6.620890 4.058937 7.618206 7.474421 9.276687 2.922951 3.166713 2.182019 4.245463 3.510395 4.328948 4.098446 1.095052 5.488314 3.834601 6.670039 6.396928 5.765108 8.740254 8.529809 3.554827 2.617456 2.485924 4.747293 1.769807 0.000000 3.722597 4.261953 5.311202 4.707793 5.602545 3.383505 7.039993 6.856432 8.412359 2.899095 3.000125 2.190555 3.467683 2.810570 3.380963 4.354293 1.094737 5.220476 4.672787 6.353891 6.010854 4.579998 7.998611 7.729016 3.893844 2.341359 3.070891 4.794164 1.766487 1.776211 0.000000 2.454940 7.190124 7.107511 5.946253 4.642451 4.860159 3.262329 3.255545 5.274868 4.557458 6.068382 3.486116 6.177304 3.023999 4.045816 7.132888 4.431146 1.089470 7.336058 2.189204 2.189161 4.849454 4.592548 4.578931 4.547789 6.369577 2.931787 8.088991 4.120467 5.095771 5.188521 0.000000 6.711204 5.223449 2.728100 7.332520 7.521056 4.332639 9.400972 8.840910 10.900961 3.022471 2.799798 3.823480 4.233427 5.196526 5.410960 2.173745 4.150953 7.142887 1.094637 8.599096 7.474346 6.832532 10.628957 9.834226 2.694245 3.134433 3.780366 3.073114 5.059651 3.513725 4.609141 6.553534 0.000000 8.233355 5.470612 2.718729 8.174362 8.621885 5.303149 10.968465 10.315734 12.323308 4.285615 3.486672 5.345167 4.781105 6.613463 6.574420 2.169033 5.549441 8.770604 1.095282 10.258286 8.977419 7.856840 12.155544 11.210701 4.028026 3.777814 5.473095 2.505259 6.534300 4.881435 5.757632 8.248137 1.773587 0.000000 7.290470 5.052433 3.394913 7.524293 8.208471 4.849969 10.301884 9.810598 11.739837 3.725418 2.812161 4.437073 4.294362 5.794125 5.943805 2.175247 4.214193 8.103136 1.094631 9.515890 8.553957 7.300644 11.458402 10.747064 3.874703 2.602091 4.710702 2.486897 5.169394 3.440328 4.335691 7.634400 1.777937 1.768969 0.000000 3.720547 9.176896 9.440876 7.232062 5.672793 6.951273 2.102007 2.911710 4.184055 6.885136 8.368344 5.763911 8.288810 4.994822 5.875265 9.506266 6.498406 2.202098 9.752244 1.092299 2.914558 6.198449 3.151314 4.038667 6.919996 8.616515 5.306004 10.429551 5.939166 7.239969 7.142911 2.421087 8.968399 10.669057 10.015245 0.000000 2.777370 8.618113 9.414990 6.492484 5.406204 6.606785 2.109324 3.174175 4.122679 6.617930 7.946706 5.321408 7.811923 4.434903 5.393064 9.253653 5.724432 2.231770 9.560165 1.089670 3.374384 5.669258 2.951668 4.183746 6.930958 8.001605 5.122375 10.070745 5.017428 6.579119 6.198070 2.793496 8.901858 10.567685 9.659752 1.785770 0.000000 2.874732 5.801188 6.395052 4.013046 2.085713 3.721807 3.165543 2.081402 4.084458 4.293265 5.655335 3.968250 5.089620 2.778934 2.736342 6.746853 5.259788 2.234605 7.496389 3.371123 1.093476 2.782873 4.168336 2.896083 4.339127 6.228561 4.030116 7.549267 5.370265 6.113496 5.587005 2.814706 6.971422 8.355445 7.989457 3.968935 4.178579 0.000000 3.779398 7.440355 7.418343 5.820612 3.809463 5.206214 2.899635 2.095213 4.165564 5.413618 6.915702 4.925129 6.612406 4.057362 4.378627 7.858157 6.214876 2.198840 8.363300 2.904504 1.093667 4.595729 4.020230 3.138480 5.195902 7.503639 4.579946 8.781304 6.158474 6.943547 6.780021 2.425176 7.647752 9.159113 8.902310 2.983189 3.956821 1.813750 0.000000 7.884005 4.315470 0.966959 7.000704 7.263796 4.282094 10.229212 9.328586 11.248023 3.843604 3.217257 5.318367 3.807661 6.139360 5.666837 1.956390 6.049401 8.266258 2.593313 9.812860 8.055029 6.655143 11.329859 10.024357 3.404759 4.067296 5.574246 2.336039 7.091617 5.795293 6.153425 7.921280 2.970813 2.449590 3.589752 10.263716 10.306510 7.255427 8.188915 0.000000 4.903365 10.017739 11.328912 7.148814 5.814530 8.271615 2.125454 3.194374 2.163115 8.739630 10.017793 7.717983 9.471195 6.446575 6.904135 11.364698 8.283921 4.328478 11.950956 3.083797 4.441702 6.479118 1.079607 3.179749 9.050285 10.187725 7.699922 12.097800 7.710494 9.261231 8.526102 5.211791 11.377589 12.940808 12.151359 3.461945 3.060449 5.163897 4.938706 12.239697 0.000000 4.898048 7.635877 8.892043 4.921632 2.911221 6.125851 3.190600 2.117590 2.167356 7.057004 8.226591 6.775548 7.295320 5.362946 5.019558 9.346060 7.888662 4.292622 10.286374 4.428385 3.056942 4.108249 3.179154 1.078687 7.179112 8.770791 6.948985 10.002811 7.870244 8.854478 8.007051 5.184435 9.857032 11.120102 10.781059 4.959565 5.166209 2.978355 3.454407 9.725278 4.203450 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5038919 0.1230183 0.1110795</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.385648" y3="-0.926028" z3="-1.383981">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.451602" y3="2.178029" z3="-0.163109">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.628663" y3="-0.341974" z3="2.045444">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.239936" y3="2.827072" z3="-0.748263">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="1.186298" y3="1.939115" z3="0.774083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.86063" y3="0.479899" z3="0.407511">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.448024" y3="-0.668861" z3="-0.12625">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.726574" y3="0.006747" z3="0.799132">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.436815" y3="1.263255" z3="0.226988">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.352364" y3="-0.924113" z3="0.300047">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.73419" y3="-0.358378" z3="-0.150578">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.331834" y3="-1.637038" z3="-0.629544">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.088368" y3="1.036148" z3="-0.003025">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.178766" y3="-0.615466" z3="-0.620419">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.546057" y3="0.585845" z3="-0.104244">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.970057" y3="-0.65715" z3="0.691935">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.815076" y3="-1.967613" z3="-2.049433">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.352408" y3="-1.697219" z3="0.008941">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.438628" y3="-2.10543" z3="0.551301">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.798209" y3="-1.944743" z3="-0.48205">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.519168" y3="-0.732576" z3="1.201303">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.210781" y3="1.914116" z3="-0.024607">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.480895" y3="0.112354" z3="-0.455564">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.334188" y3="1.176513" z3="0.986862">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.393933" y3="-1.395151" z3="1.284451">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.952718" y3="-0.552525" z3="-1.204936">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-1.020134" y3="-2.572983" z3="-0.15252">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.770551" y3="0.014327" z3="0.343951">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-1.006343" y3="-2.427563" z3="-2.624968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.652971" y3="-2.672193" z3="-2.024091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.134884" y3="-1.069115" z3="-2.5869">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.87735" y3="-2.628632" z3="0.315078">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.6531" y3="-2.800844" z3="0.863673">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.320796" y3="-2.283907" z3="1.175453">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.711763" y3="-2.329573" z3="-0.484737">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.282688" y3="-2.755516" z3="0.066609">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.888925" y3="-2.117349" z3="-1.554126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.711808" y3="-0.004712" z3="1.319957">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.730573" y3="-1.266921" z3="2.131847">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.409074" y3="-0.505656" z3="2.592415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.225286" y3="-0.175792" z3="-1.182482">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.949303" y3="1.930805" z3="1.655048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3856,-.926,-1.384;-3.4516,2.178,-.1631;-4.6287,-.342,2.0454;-.2399,2.8271,-.7483;1.1863,1.9391,.7741;-1.8606,.4799,.4075;4.448,-.6689,-.1263;3.7266,.0067,.7991;5.4368,1.2633,.227;-2.3524,-.9241,.3;-3.7342,-.3584,-.1506;-1.3318,-1.637,-.6295;-3.0884,1.0361,-.003;-.1788,-.6155,-.6204;-.5461,.5858,-.1042;-4.9701,-.6572,.6919;-1.8151,-1.9676,-2.0494;2.3524,-1.6972,.0089;-5.4386,-2.1054,.5513;3.7982,-1.9447,-.482;2.5192,-.7326,1.2013;.2108,1.9141,-.0246;5.4809,.1124,-.4556;4.3342,1.1765,.9869;-2.3939,-1.3952,1.2845;-3.9527,-.5525,-1.2049;-1.0201,-2.573,-.1525;-5.7706,.0143,.344;-1.0063,-2.4276,-2.625;-2.653,-2.6722,-2.0241;-2.1349,-1.0691,-2.5869;1.8774,-2.6286,.3151;-4.6531,-2.8008,.8637;-6.3208,-2.2839,1.1755;-5.7118,-2.3296,-.4847;4.2827,-2.7555,.0666;3.8889,-2.1173,-1.5541;1.7118,-.0047,1.32;2.7306,-1.2669,2.1318;-5.4091,-.5057,2.5924;6.2253,-.1758,-1.1825;3.9493,1.9308,1.655;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.875771 0.000000 6.947950 3.551562 0.000000 4.139133 3.328431 6.091681 0.000000 3.592496 4.737670 6.374441 2.267190 0.000000 3.965399 2.395922 3.319685 3.077610 3.398155 0.000000 3.320567 8.397036 9.338595 5.880937 4.272118 6.434568 0.000000 3.334065 7.560858 8.454874 5.107041 3.191814 5.620862 1.353983 0.000000 4.878538 8.943877 10.353617 5.968429 4.338547 7.341590 2.198990 2.197972 0.000000 4.099840 3.323571 2.926915 4.430880 4.576561 1.491509 6.818516 6.170014 8.090811 0.000000 5.296815 2.552132 2.371257 4.765934 5.508599 2.127063 8.188138 7.529825 9.320921 1.559667 0.000000 2.908508 4.389272 4.438674 4.597239 4.593476 2.415890 5.881958 5.507326 7.413498 1.553667 2.763275 0.000000 5.076809 1.208908 2.909975 3.446208 4.437568 1.409004 7.727835 6.938772 8.531308 2.115698 1.543879 3.259426 0.000000 1.768294 4.327147 5.194537 3.445454 3.214641 2.255023 4.653411 4.201661 5.981842 2.380557 3.595537 1.540538 3.402174 0.000000 2.766762 3.313715 4.706345 2.351929 2.367245 1.414645 5.149331 4.405317 6.030203 2.388760 3.325342 2.415490 2.583866 1.358119 0.000000 6.691540 3.327920 1.431038 6.048803 6.681919 3.322998 9.453561 8.722594 10.592786 2.660294 1.525274 3.992888 2.625068 4.967946 4.663767 0.000000 3.431088 4.839709 5.227523 5.211825 5.678293 3.468279 6.679207 6.536231 8.258967 2.626334 3.142974 1.535868 3.851187 2.558885 3.451713 4.380219 0.000000 1.862684 6.980952 7.397256 5.269044 3.894635 4.759033 2.338247 2.327281 4.280831 4.776748 6.234149 3.739643 6.088800 2.823673 3.691381 7.427431 4.655958 0.000000 7.190761 4.775634 2.449139 7.283189 7.765154 4.416636 10.013426 9.408701 11.389841 3.314161 2.539672 4.298784 3.962387 5.590981 5.622273 1.528677 4.462392 7.820553 0.000000 2.769785 8.346180 8.942554 6.256813 4.846061 6.220343 1.475374 2.335567 3.671378 6.283543 7.704768 5.141379 7.519316 4.195528 5.041752 8.939722 5.828052 1.546829 9.295848 0.000000 2.829484 6.781101 7.208095 4.907602 3.016122 4.613332 2.342422 1.471791 3.666782 4.957900 6.408751 4.358929 6.001937 3.257489 3.583056 7.506906 5.556822 1.542748 8.101466 2.437000 0.000000 3.360748 3.674490 5.726716 1.249125 1.261017 2.556257 4.963499 4.083798 5.272414 3.838054 4.554436 3.918712 3.414041 2.627836 1.530832 5.828029 4.824089 4.198742 6.957316 5.288638 3.719743 0.000000 4.325650 9.172897 10.424233 6.339029 4.826246 7.401215 1.336251 2.159411 1.338803 7.937579 9.232139 7.035902 8.630785 5.708648 6.055722 10.541883 7.752282 3.643864 11.187865 2.657778 3.497276 5.586249 0.000000 4.328448 7.933725 9.152000 5.163102 3.245929 6.260726 2.158097 1.331461 1.341908 7.042324 8.291464 6.529368 7.489587 5.114812 5.035493 9.487797 7.544407 3.625206 10.318372 3.491019 2.642897 4.309248 2.127901 0.000000 4.650358 3.997713 2.585017 5.157402 4.918928 2.137580 7.023528 6.297734 8.337023 1.092087 2.220471 2.202257 2.837437 3.023806 3.044251 2.744474 3.431846 4.924015 3.211258 6.462600 4.958274 4.410149 8.204458 7.208996 0.000000 5.354410 2.965206 3.326590 5.041326 6.044358 2.835968 8.470511 7.956167 9.670097 2.228045 1.094130 2.894180 2.171537 3.819468 3.756694 2.155006 2.699104 6.522150 2.775575 7.908078 6.907077 4.981186 9.486658 8.744505 3.055631 0.000000 3.164924 5.337064 4.778067 5.488553 5.107441 3.215610 5.790261 5.485608 7.520169 2.167585 3.502938 1.095765 4.162423 2.181445 3.194569 4.470504 2.143988 3.488134 4.498561 4.870288 4.212670 4.654628 7.040330 6.635185 2.310734 3.713472 0.000000 7.421671 3.211891 2.079889 6.300172 7.231015 3.938055 10.252176 9.508030 11.277347 3.544940 2.128435 4.834967 2.891127 5.709178 5.274737 1.101256 5.030124 8.308074 2.155583 9.802112 8.367339 6.286602 11.280243 10.191652 3.777925 2.454565 5.432045 0.000000 3.084846 5.766413 6.267666 5.632104 5.952235 4.287082 6.251939 6.328573 7.954249 3.553569 4.224368 2.170851 4.817334 2.826092 3.955571 5.463263 1.094004 4.330368 5.462381 5.282890 5.471979 5.205136 7.296694 7.386200 4.274908 3.770064 2.476760 6.121682 0.000000 4.446265 5.256018 5.088653 6.139413 6.620719 4.059085 7.618350 7.473012 9.273605 2.923656 3.167464 2.182135 4.245712 3.510286 4.328939 4.099523 1.095054 5.489774 3.835851 6.672690 6.396585 5.764828 8.739208 8.526357 3.555894 2.617890 2.485715 4.748085 1.769825 0.000000 3.723121 4.260570 5.310958 4.706558 5.601420 3.382477 7.039153 6.854151 8.407648 2.898756 2.999765 2.190586 3.466652 2.810559 3.380362 4.354157 1.094735 5.221944 4.673005 6.355998 6.010319 4.578991 7.996159 7.724216 3.893682 2.341198 3.070910 4.793934 1.766475 1.776239 0.000000 2.455083 7.192383 7.109935 5.947966 4.642472 4.862510 3.262489 3.255636 5.274878 4.560273 6.071265 3.489188 6.179818 3.025823 4.047418 7.135527 4.434171 1.089463 7.338466 2.189250 2.189144 4.850711 4.592650 4.578916 4.550276 6.372625 2.935500 8.091752 4.123104 5.098766 5.191492 0.000000 6.710689 5.223701 2.728226 7.331288 7.521555 4.332348 9.399774 8.837741 10.896267 3.022114 2.799774 3.822950 4.233445 5.195966 5.410575 2.173793 4.151486 7.143227 1.094637 8.600494 7.472158 6.832073 10.626615 9.828829 2.693856 3.134425 3.779286 3.073108 5.060513 3.515145 4.609419 6.555714 0.000000 8.233092 5.471096 2.718694 8.173104 8.622729 5.302965 10.966780 10.312049 12.317603 4.285303 3.486624 5.344735 4.781230 6.613122 6.574246 2.169014 5.549904 8.770942 1.095280 10.259464 8.975091 7.856528 12.152456 11.204408 4.027657 3.777794 5.472119 2.505203 6.535078 4.882703 5.757853 8.250374 1.773595 0.000000 7.290530 5.052747 3.394918 7.523385 8.209115 4.849790 10.300861 9.807595 11.734810 3.725153 2.812129 4.436705 4.294453 5.794017 5.943817 2.175244 4.214672 8.103978 1.094631 9.517756 8.552272 7.300489 11.455979 10.741480 3.874425 2.602082 4.709671 2.486774 5.170220 3.441397 4.336117 7.637001 1.777940 1.768964 0.000000 3.720763 9.176703 9.442095 7.230729 5.668131 6.951581 2.102061 2.911349 4.184286 6.887122 8.370410 5.767017 8.289393 4.995638 5.874578 9.508284 6.502397 2.202112 9.755077 1.092291 2.913729 6.196306 3.151672 4.038609 6.921777 8.619276 5.310486 10.431518 5.943567 7.244401 7.146348 2.421464 8.971381 10.671730 10.018706 0.000000 2.777515 8.617919 9.415847 6.491857 5.401819 6.606898 2.109393 3.174266 4.122719 6.619325 7.948321 5.323709 7.812367 4.435490 5.392447 9.255190 5.727424 2.231719 9.562229 1.089665 3.374347 5.667529 2.951742 4.183826 6.932055 8.003872 5.125521 10.072349 5.020616 6.582182 6.200943 2.793165 8.903882 10.569614 9.662394 1.785803 0.000000 2.875149 5.798676 6.390747 4.013209 2.086289 3.718833 3.165357 2.081027 4.083871 4.289873 5.652118 3.965955 5.086783 2.777112 2.734056 6.742952 5.257821 2.234662 7.492168 3.371056 1.093479 2.782595 4.167997 2.895363 4.334938 6.225916 4.028363 7.545770 5.368518 6.111416 5.585116 2.814630 6.966964 8.350948 7.985694 3.968278 4.178927 0.000000 3.779693 7.440012 7.417638 5.820631 3.808802 5.206137 2.899365 2.095323 4.165816 5.413802 6.915784 4.925994 6.612252 4.057538 4.378259 7.857790 6.215867 2.198840 8.362838 2.903747 1.093677 4.595502 4.020120 3.138940 5.195679 7.504056 4.581695 8.781075 6.159458 6.944721 6.780735 2.425468 7.647209 9.158396 8.902178 2.981641 3.956186 1.813896 0.000000 7.883951 4.315875 0.966960 6.999085 7.265134 4.282124 10.226444 9.324081 11.240890 3.843635 3.217287 5.318358 3.807774 6.139258 5.666770 1.956402 6.049868 8.266485 2.593511 9.813122 8.052559 6.654838 11.325350 10.016919 3.404857 4.067315 5.574164 2.335945 7.092169 5.796733 6.153301 7.923716 2.971184 2.449734 3.589869 10.265078 10.307481 7.251004 8.188132 0.000000 4.901587 10.011081 11.324987 7.141767 5.804513 8.266803 2.125418 3.194319 2.163134 8.736930 10.014455 7.716932 9.465942 6.443687 6.898823 11.361375 8.283094 4.328211 11.948908 3.083909 4.441593 6.471681 1.079609 3.179784 9.047846 10.184998 7.700874 12.094058 7.710233 9.260873 8.524251 5.211876 11.376155 12.938631 12.149846 3.462497 3.060448 5.163618 4.938457 12.235889 0.000000 4.895867 7.624972 8.882536 4.912120 2.900063 6.116928 3.190612 2.117592 2.167410 7.049652 8.218072 6.770470 7.285494 5.357444 5.011216 9.337028 7.883458 4.292121 10.278264 4.428306 3.056922 4.098545 3.179185 1.078687 7.171887 8.762897 6.945985 9.993370 7.865897 8.849501 8.000686 5.184301 9.849675 11.111649 10.773379 4.959424 5.166236 2.977398 3.455155 9.715669 4.203501 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5038520 0.1231151 0.1111580</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.385512" y3="-0.924777" z3="-1.383581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.45288" y3="2.177787" z3="-0.162908">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.628945" y3="-0.343053" z3="2.045583">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.240196" y3="2.827268" z3="-0.749467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="1.183595" y3="1.940718" z3="0.775968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.861549" y3="0.479963" z3="0.407329">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.448735" y3="-0.669802" z3="-0.126131">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.728185" y3="0.007031" z3="0.799059">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.44001" y3="1.261148" z3="0.226373">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.352818" y3="-0.92415" z3="0.299715">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.734894" y3="-0.358776" z3="-0.150618">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.33212" y3="-1.636571" z3="-0.630055">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.089381" y3="1.035945" z3="-0.003006">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.179269" y3="-0.614736" z3="-0.620543">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.546951" y3="0.586429" z3="-0.104255">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.970464" y3="-0.658152" z3="0.692092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.815153" y3="-1.96664" z3="-2.050158">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.351941" y3="-1.695745" z3="0.009686">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.438485" y3="-2.106608" z3="0.551329">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.797433" y3="-1.945058" z3="-0.48136">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.519753" y3="-0.730529" z3="1.201476">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.209457" y3="1.914947" z3="-0.024384">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.482509" y3="0.110011" z3="-0.455859">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.337437" y3="1.176011" z3="0.986492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.394115" y3="-1.395392" z3="1.284031">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.953538" y3="-0.552838" z3="-1.204969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-1.020309" y3="-2.572642" z3="-0.153372">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.771312" y3="0.013038" z3="0.344366">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-1.006169" y3="-2.425958" z3="-2.625851">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.65276" y3="-2.671577" z3="-2.025255">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.135273" y3="-1.067985" z3="-2.587177">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.876099" y3="-2.626514" z3="0.316544">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.652627" y3="-2.801759" z3="0.86346">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.320464" y3="-2.285497" z3="1.175624">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.711719" y3="-2.330703" z3="-0.484692">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.281059" y3="-2.756169" z3="0.067549">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.887808" y3="-2.118161" z3="-1.553381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.713139" y3="-0.001741" z3="1.319751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.730406" y3="-1.264599" z3="2.132345">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.409364" y3="-0.506588" z3="2.592586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.22646" y3="-0.179322" z3="-1.182757">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.95372" y3="1.930948" z3="1.65462">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3855,-.9248,-1.3836;-3.4529,2.1778,-.1629;-4.6289,-.3431,2.0456;-.2402,2.8273,-.7495;1.1836,1.9407,.776;-1.8615,.48,.4073;4.4487,-.6698,-.1261;3.7282,.007,.7991;5.44,1.2611,.2264;-2.3528,-.9242,.2997;-3.7349,-.3588,-.1506;-1.3321,-1.6366,-.6301;-3.0894,1.0359,-.003;-.1793,-.6147,-.6205;-.547,.5864,-.1043;-4.9705,-.6582,.6921;-1.8152,-1.9666,-2.0502;2.3519,-1.6957,.0097;-5.4385,-2.1066,.5513;3.7974,-1.9451,-.4814;2.5198,-.7305,1.2015;.2095,1.9149,-.0244;5.4825,.11,-.4559;4.3374,1.176,.9865;-2.3941,-1.3954,1.284;-3.9535,-.5528,-1.205;-1.0203,-2.5726,-.1534;-5.7713,.013,.3444;-1.0062,-2.426,-2.6259;-2.6528,-2.6716,-2.0253;-2.1353,-1.068,-2.5872;1.8761,-2.6265,.3165;-4.6526,-2.8018,.8635;-6.3205,-2.2855,1.1756;-5.7117,-2.3307,-.4847;4.2811,-2.7562,.0675;3.8878,-2.1182,-1.5534;1.7131,-.0017,1.3198;2.7304,-1.2646,2.1323;-5.4094,-.5066,2.5926;6.2265,-.1793,-1.1828;3.9537,1.9309,1.6546;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.875881 0.000000 6.947752 3.551788 0.000000 4.137978 3.329747 6.092976 0.000000 3.593811 4.736517 6.372846 2.267179 0.000000 3.965357 2.395853 3.319596 3.078441 3.397441 0.000000 3.321073 8.399145 9.339561 5.882527 4.276650 6.436321 0.000000 3.334711 7.563416 8.456833 5.108788 3.196032 5.623366 1.353984 0.000000 4.879464 8.948478 10.356971 5.972414 4.345219 7.345458 2.198967 2.197981 0.000000 4.099829 3.323578 2.926855 4.431376 4.576080 1.491462 6.819616 6.172119 8.093768 0.000000 5.297086 2.552221 2.371260 4.766803 5.507974 2.127019 8.189574 7.532148 9.324438 1.559674 0.000000 2.908604 4.389211 4.438613 4.597001 4.593770 2.415818 5.882760 5.509127 7.415658 1.553655 2.763322 0.000000 5.076917 1.208926 2.910088 3.447302 4.436636 1.408923 7.729678 6.941267 8.535446 2.115689 1.543932 3.259371 0.000000 1.768302 4.327140 5.194387 3.444956 3.215274 2.254984 4.654664 4.203578 5.984355 2.380531 3.595666 1.540552 3.402183 0.000000 2.766736 3.313652 4.706211 2.351968 2.367209 1.414645 5.151259 4.407773 6.033925 2.388765 3.325439 2.415510 2.583848 1.358139 0.000000 6.691632 3.328158 1.431035 6.049932 6.680839 3.322913 9.454678 8.724701 10.596158 2.660222 1.525260 3.992859 2.625186 4.967941 4.663756 0.000000 3.431335 4.839435 5.227672 5.210934 5.678638 3.468034 6.679817 6.537738 8.260665 2.626361 3.143069 1.535890 3.850975 2.558820 3.451527 4.380418 0.000000 1.862678 6.980687 7.396447 5.268124 3.895650 4.758710 2.338280 2.327360 4.280928 4.776425 6.233999 3.739662 6.088537 2.823613 3.691188 7.426970 4.656287 0.000000 7.190795 4.775855 2.449138 7.284051 7.764229 4.416509 10.014014 9.410456 11.392498 3.314039 2.539659 4.298702 3.962476 5.590913 5.622219 1.528686 4.462718 7.820033 0.000000 2.769899 8.346634 8.941796 6.256950 4.848946 6.220496 1.475350 2.335577 3.671335 6.283146 7.704650 5.140971 7.519535 4.195627 5.042251 8.939191 5.827754 1.546845 9.294876 0.000000 2.829620 6.781754 7.208782 4.907281 3.016941 4.614300 2.342478 1.471816 3.666811 4.959093 6.409912 4.360314 6.002798 3.258509 3.583849 7.507866 5.558102 1.542779 8.102458 2.437106 0.000000 3.360737 3.674369 5.726558 1.249104 1.261021 2.556290 4.966162 4.086521 5.277217 3.838068 4.554520 3.918747 3.414005 2.627891 1.530847 5.828015 4.823849 4.198631 6.957269 5.289805 3.720046 0.000000 4.326296 9.176203 10.426121 6.341848 4.832136 7.403860 1.336233 2.159415 1.338792 7.939316 9.234363 7.037049 8.633639 5.710351 6.058463 10.543837 7.753073 3.643892 11.189099 2.657714 3.497312 5.590085 0.000000 4.329482 7.938119 9.155613 5.166714 3.252048 6.264770 2.158088 1.331478 1.341900 7.045698 8.295247 6.532053 7.493754 5.117614 5.039304 9.491462 7.546646 3.625373 10.321512 3.491026 2.642932 4.313713 2.127891 0.000000 4.650076 3.997777 2.584927 5.158036 4.918106 2.137566 7.024217 6.299567 8.339625 1.092085 2.220468 2.202209 2.837474 3.023634 3.044169 2.744356 3.431957 4.923333 3.211054 6.461733 4.959330 4.410088 8.205770 7.212103 0.000000 5.354969 2.965276 3.326601 5.041974 6.044177 2.835948 8.472058 7.958546 9.673573 2.228060 1.094131 2.894276 2.171570 3.819750 3.756906 2.155011 2.699234 6.522322 2.775581 7.908187 6.908404 4.981392 9.488915 8.748239 3.055621 0.000000 3.164941 5.337047 4.777942 5.488436 5.107963 3.215660 5.790680 5.487261 7.521826 2.167579 3.502883 1.095757 4.162400 2.181512 3.194716 4.470325 2.144018 3.488209 4.498230 4.869504 4.214384 4.654828 7.040935 6.637555 2.310711 3.713395 0.000000 7.421955 3.212256 2.079889 6.301555 7.230004 3.938049 10.253633 9.510375 11.281198 3.544913 2.128438 4.834990 2.891325 5.709298 5.274845 1.101256 5.030314 8.307778 2.155575 9.801879 8.368349 6.286718 11.282652 10.195668 3.777843 2.454579 5.431898 0.000000 3.084950 5.766017 6.267799 5.630623 5.952756 4.286751 6.252092 6.329578 7.955071 3.553566 4.224449 2.170847 4.817039 2.825871 3.955225 5.463472 1.094007 4.330839 5.462773 5.282489 5.473119 5.204693 7.296776 7.387647 4.275001 3.770208 2.476868 6.121885 0.000000 4.446425 5.255935 5.089111 6.138843 6.621007 4.059025 7.618727 7.474500 9.275186 2.923859 3.167701 2.182180 4.245686 3.510266 4.328889 4.099952 1.095053 5.490015 3.836435 6.672063 6.397996 5.764718 8.739727 8.528623 3.556250 2.618004 2.485686 4.748434 1.769833 0.000000 3.723584 4.260071 5.310969 4.705474 5.601600 3.382031 7.040203 6.855829 8.409865 2.898648 2.999764 2.190586 3.466235 2.810522 3.380053 4.354294 1.094736 5.222343 4.673346 6.356156 6.011408 4.578597 7.997549 7.726746 3.893641 2.341358 3.070919 4.794093 1.766483 1.776247 0.000000 2.454997 7.190911 7.107698 5.946328 4.642224 4.860911 3.262382 3.255550 5.274799 4.558735 6.069936 3.488367 6.178326 3.024884 4.046139 7.133787 4.434192 1.089457 7.336795 2.189191 2.189099 4.849619 4.592534 4.578888 4.548232 6.371797 2.934774 8.090173 4.123758 5.098688 5.191504 0.000000 6.710543 5.223859 2.728225 7.331918 7.520654 4.332190 9.399964 8.839201 10.898368 3.021977 2.799778 3.822829 4.233495 5.195793 5.410441 2.173807 4.151849 7.142560 1.094639 8.599185 7.473104 6.831943 10.627323 9.831534 2.693627 3.134449 3.778913 3.073108 5.060947 3.515835 4.609766 6.553937 0.000000 8.233053 5.471344 2.718668 8.174106 8.621574 5.302827 10.967255 10.313721 12.320248 4.285172 3.486595 5.344639 4.781323 6.613013 6.574155 2.168999 5.550240 8.770281 1.095278 10.258330 8.975970 7.856438 12.153616 11.207528 4.027439 3.777787 5.471776 2.505159 6.535494 4.883312 5.758197 8.248513 1.773599 0.000000 7.290770 5.052957 3.394914 7.524117 8.208512 4.849676 10.301553 9.809425 11.737464 3.725037 2.812106 4.436648 4.294532 5.794049 5.943840 2.175248 4.215027 8.103715 1.094630 9.516969 8.553412 7.300531 11.457254 10.744625 3.874234 2.602077 4.709315 2.486767 5.170672 3.441913 4.336573 7.635737 1.777944 1.768972 0.000000 3.720748 9.176647 9.440547 7.230769 5.670704 6.951232 2.102035 2.911365 4.184164 6.886111 8.369623 5.766102 8.289059 4.995371 5.874704 9.506966 6.501680 2.202122 9.753231 1.092289 2.913968 6.197235 3.151575 4.038523 6.920223 8.618733 5.309142 10.430498 5.942914 7.243261 7.146107 2.421289 8.969186 10.669661 10.017066 0.000000 2.777497 8.618254 9.414810 6.491839 5.404918 6.606795 2.109366 3.174255 4.122691 6.618538 7.947879 5.322792 7.812376 4.435267 5.392760 9.254338 5.726562 2.231704 9.560841 1.089661 3.374365 5.668692 2.951673 4.183861 6.930791 8.003645 5.124080 10.071845 5.019556 6.580879 6.200735 2.793209 8.902105 10.568080 9.661170 1.785809 0.000000 2.875297 5.799688 6.392603 4.012539 2.085490 3.720611 3.165496 2.081251 4.084106 4.292240 5.654249 3.968377 5.088289 2.778797 2.735277 6.745027 5.259844 2.234723 7.494442 3.371165 1.093501 2.782347 4.168144 2.895704 4.337404 6.228094 4.031298 7.547755 5.370218 6.113768 5.586702 2.814678 6.969310 8.353149 7.988029 3.968512 4.178912 0.000000 3.779676 7.439841 7.417333 5.820025 3.808732 5.206268 2.899509 2.095294 4.165823 5.414204 6.916107 4.926798 6.612272 4.057946 4.378327 7.857831 6.216776 2.198819 8.362976 2.903967 1.093674 4.595234 4.020252 3.138806 5.195908 7.504623 4.582940 8.781140 6.160453 6.945769 6.781399 2.425239 7.647360 9.158373 8.902524 2.982061 3.956353 1.813822 0.000000 7.883852 4.315836 0.966958 7.000300 7.263368 4.282011 10.227423 9.326058 11.244232 3.843707 3.217275 5.318477 3.807732 6.139200 5.666630 1.956395 6.050220 8.265792 2.593770 9.812412 8.053336 6.654585 11.327228 10.020519 3.404999 4.067308 5.574286 2.335702 7.092545 5.797456 6.153436 7.921643 2.971588 2.449980 3.590049 10.263563 10.306484 7.252933 8.187933 0.000000 4.902123 10.014274 11.326465 7.144576 5.810478 8.269155 2.125402 3.194323 2.163124 8.738221 10.016292 7.717589 9.468558 6.445079 6.901350 11.362898 8.283383 4.328205 11.949578 3.083822 4.441630 6.475502 1.079610 3.179776 9.048656 10.186872 7.700862 12.096100 7.709787 9.260761 8.525298 5.211746 11.376235 12.939214 12.150550 3.462367 3.060351 5.163733 4.938636 12.237349 0.000000 4.897093 7.630339 8.887412 4.916498 2.906152 6.121964 3.190614 2.117619 2.167390 7.054061 8.222926 6.773998 7.290681 5.360828 5.015716 9.341893 7.886474 4.292367 10.282637 4.428348 3.056969 4.103513 3.179171 1.078687 7.176133 8.767621 6.949254 9.998569 7.868009 8.852700 8.003892 5.184344 9.853612 11.116057 10.777711 4.959336 5.166324 2.977856 3.454886 9.720530 4.203486 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5038377 0.1230633 0.1111218</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.385679" y3="-0.924967" z3="-1.383923">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.452963" y3="2.177734" z3="-0.163251">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.627941" y3="-0.343061" z3="2.04603">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.239906" y3="2.827091" z3="-0.750711">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="1.183482" y3="1.940799" z3="0.775268">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.8615" y3="0.47993" z3="0.406521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.448672" y3="-0.669878" z3="-0.125529">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.727864" y3="0.006946" z3="0.799472">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.439812" y3="1.261065" z3="0.227246">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.352701" y3="-0.92418" z3="0.299169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.735004" y3="-0.358883" z3="-0.150602">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.332235" y3="-1.636525" z3="-0.630901">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.089411" y3="1.035892" z3="-0.003381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.179254" y3="-0.614807" z3="-0.621246">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.546908" y3="0.586423" z3="-0.105061">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.970119" y3="-0.658295" z3="0.692736">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.815409" y3="-1.966041" z3="-2.0511">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.351802" y3="-1.695819" z3="0.009634">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.438062" y3="-2.106822" z3="0.552333">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.797437" y3="-1.945093" z3="-0.481006">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.519282" y3="-0.7306" z3="1.20148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.209516" y3="1.914936" z3="-0.025295">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.48258" y3="0.10989" z3="-0.45488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.337001" y3="1.175963" z3="0.987012">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.393564" y3="-1.395403" z3="1.283516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.954143" y3="-0.553022" z3="-1.204834">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-1.020525" y3="-2.572787" z3="-0.154537">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.771216" y3="0.012771" z3="0.345348">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-1.006425" y3="-2.425019" z3="-2.627069">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.65294" y3="-2.671075" z3="-2.026424">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.135667" y3="-1.067179" z3="-2.587689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.875932" y3="-2.626609" z3="0.316383">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.65198" y3="-2.801863" z3="0.864147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.319712" y3="-2.285728" z3="1.177087">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.711781" y3="-2.331041" z3="-0.483532">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.280834" y3="-2.756219" z3="0.068081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.888158" y3="-2.11822" z3="-1.552994">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.712651" y3="-0.001815" z3="1.319555">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.729626" y3="-1.264695" z3="2.132405">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.408235" y3="-0.506098" z3="2.593355">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.226753" y3="-0.179432" z3="-1.181557">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.953023" y3="1.930938" z3="1.654945">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3857,-.925,-1.3839;-3.453,2.1777,-.1633;-4.6279,-.3431,2.046;-.2399,2.8271,-.7507;1.1835,1.9408,.7753;-1.8615,.4799,.4065;4.4487,-.6699,-.1255;3.7279,.0069,.7995;5.4398,1.2611,.2272;-2.3527,-.9242,.2992;-3.735,-.3589,-.1506;-1.3322,-1.6365,-.6309;-3.0894,1.0359,-.0034;-.1793,-.6148,-.6212;-.5469,.5864,-.1051;-4.9701,-.6583,.6927;-1.8154,-1.966,-2.0511;2.3518,-1.6958,.0096;-5.4381,-2.1068,.5523;3.7974,-1.9451,-.481;2.5193,-.7306,1.2015;.2095,1.9149,-.0253;5.4826,.1099,-.4549;4.337,1.176,.987;-2.3936,-1.3954,1.2835;-3.9541,-.553,-1.2048;-1.0205,-2.5728,-.1545;-5.7712,.0128,.3453;-1.0064,-2.425,-2.6271;-2.6529,-2.6711,-2.0264;-2.1357,-1.0672,-2.5877;1.8759,-2.6266,.3164;-4.652,-2.8019,.8641;-6.3197,-2.2857,1.1771;-5.7118,-2.331,-.4835;4.2808,-2.7562,.0681;3.8882,-2.1182,-1.553;1.7127,-.0018,1.3196;2.7296,-1.2647,2.1324;-5.4082,-.5061,2.5934;6.2268,-.1794,-1.1816;3.953,1.9309,1.6549;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.876159 0.000000 6.947432 3.551887 0.000000 4.137804 3.330241 6.093150 0.000000 3.593829 4.736410 6.372087 2.267192 0.000000 3.965299 2.395815 3.319413 3.078623 3.397356 0.000000 3.321228 8.399175 9.338490 5.882381 4.276510 6.436102 0.000000 3.334893 7.563295 8.455525 5.108766 3.195975 5.623088 1.353987 0.000000 4.879611 8.948420 10.355716 5.972272 4.344964 7.345167 2.198943 2.197958 0.000000 4.099791 3.323594 2.926763 4.431499 4.575955 1.491418 6.819363 6.171756 8.093437 0.000000 5.297445 2.552280 2.371240 4.767208 5.507929 2.126972 8.189622 7.531991 9.324390 1.559685 0.000000 2.908679 4.389163 4.438546 4.596891 4.593843 2.415729 5.882915 5.509226 7.415731 1.553647 2.763396 0.000000 5.077134 1.208938 2.910099 3.447690 4.436526 1.408857 7.729635 6.941076 8.535311 2.115694 1.543977 3.259335 0.000000 1.768302 4.327264 5.194134 3.444866 3.215342 2.254929 4.654725 4.203640 5.984374 2.380493 3.595881 1.540573 3.402290 0.000000 2.766709 3.313731 4.705950 2.351957 2.367184 1.414641 5.151168 4.407681 6.033770 2.388768 3.325603 2.415522 2.583927 1.358150 0.000000 6.691770 3.328293 1.431036 6.050319 6.680487 3.322798 9.454275 8.724039 10.595626 2.660163 1.525246 3.992887 2.625246 4.967980 4.663754 0.000000 3.431607 4.839052 5.227894 5.210310 5.678477 3.467679 6.680313 6.538068 8.260951 2.626390 3.143198 1.535905 3.850693 2.558773 3.451266 4.380756 0.000000 1.862689 6.980659 7.395517 5.267996 3.895658 4.758499 2.338309 2.327402 4.280925 4.776150 6.233962 3.739777 6.088449 2.823622 3.691111 7.426547 4.656747 0.000000 7.190919 4.775992 2.449139 7.284384 7.763877 4.416372 10.013582 9.409746 11.391949 3.313939 2.539649 4.298725 3.962529 5.590927 5.622200 1.528697 4.463328 7.819555 0.000000 2.769927 8.346674 8.940884 6.256726 4.848829 6.220290 1.475346 2.335577 3.671303 6.282924 7.704732 5.141130 7.519512 4.195640 5.042146 8.938878 5.828351 1.546844 9.294535 0.000000 2.829690 6.781490 7.207375 4.907273 3.017016 4.613957 2.342474 1.471820 3.666790 4.958615 6.409556 4.360334 6.002468 3.258502 3.583730 7.507009 5.558340 1.542788 8.101526 2.437095 0.000000 3.360696 3.674486 5.726250 1.249094 1.261023 2.556329 4.966060 4.086495 5.277055 3.838075 4.554690 3.918754 3.414106 2.627908 1.530845 5.828011 4.823505 4.198590 6.957251 5.289676 3.720061 0.000000 4.326506 9.176326 10.425084 6.341731 4.831950 7.403679 1.336217 2.159404 1.338779 7.939114 9.234511 7.037234 8.633676 5.710450 6.058398 10.543531 7.753584 3.643917 11.188777 2.657695 3.497297 5.589986 0.000000 4.329613 7.937896 9.154187 5.166622 3.251844 6.264412 2.158088 1.331472 1.341893 7.045271 8.295010 6.532073 7.493470 5.117608 5.039122 9.490710 7.546819 3.625385 10.320731 3.491016 2.642930 4.313580 2.127890 0.000000 4.649646 3.997845 2.584820 5.158078 4.917704 2.137541 7.023388 6.298632 8.338723 1.092089 2.220480 2.202169 2.837517 3.023344 3.043997 2.744264 3.432135 4.922552 3.210875 6.460974 4.958301 4.409916 8.204972 7.211126 0.000000 5.355755 2.965316 3.326591 5.042514 6.044430 2.835949 8.472654 7.958898 9.674097 2.228094 1.094128 2.894440 2.171612 3.820233 3.757272 2.155008 2.699439 6.522719 2.775599 7.908779 6.908482 4.981786 9.489660 8.748523 3.055634 0.000000 3.164888 5.337066 4.777826 5.488485 5.108291 3.215759 5.790856 5.487473 7.521976 2.167590 3.502825 1.095751 4.162415 2.181567 3.194897 4.470172 2.144046 3.488354 4.497936 4.869634 4.214578 4.655036 7.041117 6.637721 2.310728 3.713313 0.000000 7.422322 3.212480 2.079907 6.302152 7.229795 3.938001 10.253480 9.509931 11.280928 3.544891 2.128439 4.835059 2.891447 5.709483 5.274973 1.101256 5.030613 8.307551 2.155577 9.801796 8.367671 6.286873 11.282630 10.195136 3.777784 2.454575 5.431764 0.000000 3.085081 5.765525 6.267997 5.629647 5.952475 4.286321 6.252704 6.330019 7.955395 3.553568 4.224565 2.170843 4.816687 2.825669 3.954803 5.463816 1.094009 4.331469 5.463447 5.283276 5.473524 5.204128 7.297353 7.387886 4.275153 3.770433 2.476984 6.122198 0.000000 4.446588 5.255701 5.089711 6.138404 6.620951 4.058870 7.619126 7.474768 9.275419 2.924067 3.167933 2.182210 4.245564 3.510254 4.328776 4.100540 1.095053 5.490364 3.837352 6.672535 6.398179 5.764519 8.740149 8.528762 3.556728 2.618070 2.485639 4.748892 1.769839 0.000000 3.724131 4.259416 5.311039 4.704650 5.601264 3.381421 7.040852 6.856210 8.410259 2.898535 2.999826 2.190589 3.465715 2.810532 3.379645 4.354594 1.094736 5.222897 4.674015 6.356931 6.011626 4.578074 7.998254 7.726940 3.893645 2.341688 3.070933 4.794394 1.766484 1.776253 0.000000 2.454990 7.190889 7.106802 5.946285 4.642335 4.860772 3.262372 3.255556 5.274769 4.558497 6.069865 3.488545 6.178252 3.024944 4.046152 7.133324 4.434786 1.089457 7.336237 2.189172 2.189098 4.849672 4.592514 4.578882 4.547506 6.372099 2.934983 8.089873 4.124625 5.099157 5.192147 0.000000 6.710431 5.223942 2.728210 7.332072 7.520196 4.332016 9.399292 8.838291 10.897582 3.021850 2.799770 3.822811 4.233508 5.195660 5.410311 2.173816 4.152517 7.141883 1.094639 8.598612 7.472010 6.831797 10.626733 9.830563 2.693408 3.134477 3.778579 3.073110 5.061686 3.516911 4.610437 6.553198 0.000000 8.233073 5.471494 2.718658 8.174433 8.621073 5.302668 10.966580 10.312746 12.319429 4.285059 3.486575 5.344643 4.781372 6.612957 6.574072 2.168994 5.550868 8.769612 1.095277 10.257777 8.974789 7.856343 12.153041 11.206470 4.027238 3.777795 5.471472 2.505143 6.536208 4.884280 5.758875 8.247763 1.773600 0.000000 7.291206 5.053107 3.394916 7.524568 8.208401 4.849579 10.301575 9.809139 11.737396 3.724956 2.812098 4.436721 4.294603 5.794246 5.943968 2.175258 4.215710 8.103585 1.094629 9.517047 8.552841 7.300690 11.457430 10.744282 3.874073 2.602100 4.708988 2.486771 5.171456 3.442768 4.337444 7.635484 1.777945 1.768980 0.000000 3.720716 9.176547 9.439380 7.230551 5.670598 6.950933 2.102017 2.911321 4.184153 6.885750 8.369510 5.766180 8.288891 4.995318 5.874549 9.506398 6.502268 2.202051 9.752598 1.092289 2.913896 6.197099 3.151549 4.038520 6.919298 8.619121 5.309201 10.430143 5.943790 7.243716 7.146850 2.421158 8.968331 10.668778 10.016857 0.000000 2.777561 8.618507 9.414251 6.491585 5.404786 6.606713 2.109390 3.174291 4.122675 6.618502 7.948244 5.323043 7.812566 4.435341 5.392719 9.254391 5.727299 2.231730 9.560906 1.089661 3.374380 5.668564 2.951696 4.183866 6.930244 8.004546 5.124205 10.072156 5.020429 6.581470 6.201754 2.793221 8.901904 10.567971 9.661671 1.785811 0.000000 2.875399 5.799373 6.391192 4.012629 2.085670 3.720252 3.165499 2.081261 4.084083 4.291740 5.653832 3.968361 5.087907 2.778808 2.735172 6.744130 5.259916 2.234738 7.493490 3.371154 1.093491 2.782440 4.168149 2.895679 4.336402 6.228076 4.031513 7.547023 5.370395 6.113830 5.586691 2.814704 6.968228 8.351971 7.987404 3.968437 4.178940 0.000000 3.779705 7.439406 7.415569 5.820067 3.808880 5.205846 2.899516 2.095295 4.165837 5.413571 6.915494 4.926747 6.611767 4.057897 4.378192 7.856617 6.216989 2.198812 8.361635 2.903976 1.093674 4.595288 4.020234 3.138852 5.194687 7.504426 4.583104 8.780080 6.160927 6.945918 6.781547 2.425188 7.645879 9.156727 8.901549 2.982000 3.956370 1.813788 0.000000 7.883620 4.315659 0.966956 7.000324 7.262470 4.281801 10.226327 9.324674 11.242840 3.843744 3.217246 5.318597 3.807587 6.139032 5.666353 1.956390 6.050685 8.264940 2.594028 9.811565 8.051910 6.654162 11.326122 10.018947 3.405112 4.067287 5.574416 2.335490 7.093026 5.798373 6.153676 7.920875 2.971972 2.450242 3.590235 10.262461 10.306022 7.251475 8.186130 0.000000 4.902324 10.014494 11.325568 7.144403 5.810261 8.269014 2.125395 3.194316 2.163107 8.738091 10.016570 7.717814 9.468686 6.445187 6.901294 11.362756 8.283988 4.328234 11.949441 3.083814 4.441620 6.475373 1.079611 3.179772 9.047930 10.187775 7.701036 12.096266 7.710450 9.261266 8.526159 5.211731 11.375803 12.938836 12.150937 3.462374 3.060375 5.163741 4.938627 12.236406 0.000000 4.897159 7.629900 8.885773 4.916393 2.905905 6.121492 3.190611 2.117610 2.167394 7.053508 8.222472 6.773908 7.290200 5.360744 5.015448 9.340901 7.886446 4.292356 10.281622 4.428330 3.056963 4.103328 3.179171 1.078685 7.175072 8.767649 6.949384 9.997761 7.868045 8.852669 8.003799 5.184331 9.852453 11.114751 10.777105 4.959338 5.166310 2.977799 3.454958 9.718688 4.203481 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5037497 0.1230683 0.1111330</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.385727" y3="-0.925148" z3="-1.383904">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.452943" y3="2.177685" z3="-0.163569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.627699" y3="-0.342998" z3="2.046106">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.239794" y3="2.82698" z3="-0.750841">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="1.183397" y3="1.940727" z3="0.775343">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.861538" y3="0.479869" z3="0.406263">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.448647" y3="-0.669833" z3="-0.125466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.727784" y3="0.006953" z3="0.799523">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.439699" y3="1.261159" z3="0.227352">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.352724" y3="-0.924226" z3="0.298989">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.735077" y3="-0.358942" z3="-0.150662">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.332303" y3="-1.636558" z3="-0.63113">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.089431" y3="1.035842" z3="-0.003589">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.17925" y3="-0.614913" z3="-0.621342">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.546891" y3="0.586335" z3="-0.105172">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.970068" y3="-0.658306" z3="0.692877">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.815447" y3="-1.965832" z3="-2.051395">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.35185" y3="-1.695918" z3="0.009716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.43802" y3="-2.106848" z3="0.552632">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.797513" y3="-1.945113" z3="-0.480887">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.519264" y3="-0.730688" z3="1.201549">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.209539" y3="1.914845" z3="-0.025353">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.482508" y3="0.110006" z3="-0.454813">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.336895" y3="1.175974" z3="0.987124">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.393485" y3="-1.395432" z3="1.283349">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.954356" y3="-0.553145" z3="-1.204853">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-1.020669" y3="-2.572901" z3="-0.154881">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.771227" y3="0.012729" z3="0.345574">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-1.006432" y3="-2.42469" z3="-2.627418">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.652964" y3="-2.670887" z3="-2.026862">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.135704" y3="-1.066879" z3="-2.587833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.876023" y3="-2.62673" z3="0.316468">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.651887" y3="-2.801859" z3="0.864379">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.319577" y3="-2.285716" z3="1.177527">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.711884" y3="-2.331133" z3="-0.48318">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.280949" y3="-2.756175" z3="0.068266">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.888288" y3="-2.118294" z3="-1.552861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.712588" y3="-0.001965" z3="1.319668">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.72968" y3="-1.264783" z3="2.132457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.408028" y3="-0.505647" z3="2.593496">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.226692" y3="-0.179259" z3="-1.181502">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.952854" y3="1.930914" z3="1.655057">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3857,-.9251,-1.3839;-3.4529,2.1777,-.1636;-4.6277,-.343,2.0461;-.2398,2.827,-.7508;1.1834,1.9407,.7753;-1.8615,.4799,.4063;4.4486,-.6698,-.1255;3.7278,.007,.7995;5.4397,1.2612,.2274;-2.3527,-.9242,.299;-3.7351,-.3589,-.1507;-1.3323,-1.6366,-.6311;-3.0894,1.0358,-.0036;-.1792,-.6149,-.6213;-.5469,.5863,-.1052;-4.9701,-.6583,.6929;-1.8154,-1.9658,-2.0514;2.3519,-1.6959,.0097;-5.438,-2.1068,.5526;3.7975,-1.9451,-.4809;2.5193,-.7307,1.2015;.2095,1.9148,-.0254;5.4825,.11,-.4548;4.3369,1.176,.9871;-2.3935,-1.3954,1.2833;-3.9544,-.5531,-1.2049;-1.0207,-2.5729,-.1549;-5.7712,.0127,.3456;-1.0064,-2.4247,-2.6274;-2.653,-2.6709,-2.0269;-2.1357,-1.0669,-2.5878;1.876,-2.6267,.3165;-4.6519,-2.8019,.8644;-6.3196,-2.2857,1.1775;-5.7119,-2.3311,-.4832;4.2809,-2.7562,.0683;3.8883,-2.1183,-1.5529;1.7126,-.002,1.3197;2.7297,-1.2648,2.1325;-5.408,-.5056,2.5935;6.2267,-.1793,-1.1815;3.9529,1.9309,1.6551;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.876182 0.000000 6.947313 3.551979 0.000000 4.137820 3.330285 6.093060 0.000000 3.593956 4.736386 6.371740 2.267191 0.000000 3.965287 2.395800 3.319314 3.078615 3.397345 0.000000 3.321194 8.399103 9.338233 5.882199 4.276486 6.436069 0.000000 3.334876 7.563230 8.455207 5.108605 3.195930 5.623061 1.353990 0.000000 4.879629 8.948291 10.355370 5.972043 4.344906 7.345099 2.198953 2.197969 0.000000 4.099774 3.323597 2.926731 4.431497 4.575918 1.491394 6.819349 6.171726 8.093386 0.000000 5.297557 2.552302 2.371248 4.767317 5.507935 2.126951 8.189666 7.532000 9.324384 1.559690 0.000000 2.908686 4.389098 4.438528 4.596855 4.593895 2.415686 5.882995 5.509298 7.415778 1.553640 2.763418 0.000000 5.077183 1.208942 2.910106 3.447752 4.436509 1.408831 7.729605 6.941038 8.535230 2.115693 1.543992 3.259299 0.000000 1.768304 4.327266 5.194027 3.444860 3.215405 2.254909 4.654711 4.203627 5.984355 2.380478 3.595966 1.540580 3.402318 0.000000 2.766722 3.313751 4.705811 2.351953 2.367188 1.414637 5.151093 4.407607 6.033673 2.388760 3.325681 2.415524 2.583967 1.358156 0.000000 6.691812 3.328365 1.431036 6.050374 6.680337 3.322732 9.454205 8.723907 10.595485 2.660141 1.525247 3.992907 2.625261 4.967997 4.663744 0.000000 3.431629 4.838803 5.227989 5.210103 5.678443 3.467515 6.680395 6.538120 8.260950 2.626388 3.143225 1.535905 3.850532 2.558745 3.451170 4.380900 0.000000 1.862701 6.980720 7.395362 5.267985 3.895722 4.758565 2.338307 2.327393 4.280944 4.776213 6.234093 3.739945 6.088532 2.823698 3.691148 7.426562 4.656973 0.000000 7.190974 4.776055 2.449133 7.284453 7.763738 4.416306 10.013542 9.409627 11.391842 3.313907 2.539649 4.298765 3.962544 5.590953 5.622196 1.528700 4.463618 7.819572 0.000000 2.769925 8.346692 8.940731 6.256644 4.848863 6.220324 1.475344 2.335568 3.671316 6.282980 7.704863 5.141283 7.519568 4.195689 5.042146 8.938908 5.828571 1.546846 9.294590 0.000000 2.829715 6.781551 7.207126 4.907262 3.017059 4.614039 2.342475 1.471821 3.666804 4.958664 6.409638 4.360491 6.002537 3.258575 3.583765 7.506936 5.558502 1.542778 8.101438 2.437076 0.000000 3.360750 3.674501 5.726052 1.249088 1.261025 2.556326 4.965946 4.086382 5.276906 3.838061 4.554756 3.918763 3.414135 2.627933 1.530848 5.827974 4.823387 4.198611 6.957227 5.289646 3.720076 0.000000 4.326474 9.176187 10.424783 6.341476 4.831892 7.403598 1.336222 2.159407 1.338781 7.939063 9.234517 7.037274 8.633592 5.710406 6.058283 10.543426 7.753601 3.643922 11.188715 2.657707 3.497301 5.589820 0.000000 4.329652 7.937827 9.153834 5.166471 3.251807 6.264386 2.158089 1.331473 1.341897 7.045238 8.295014 6.532142 7.493428 5.117617 5.039062 9.490560 7.546844 3.625395 10.320595 3.491013 2.642937 4.313480 2.127886 0.000000 4.649500 3.997898 2.584788 5.158010 4.917531 2.137522 7.023248 6.298468 8.338548 1.092090 2.220489 2.202154 2.837541 3.023226 3.043896 2.744229 3.432201 4.922463 3.210803 6.460893 4.958193 4.409803 8.204805 7.210956 0.000000 5.356018 2.965320 3.326603 5.042752 6.044591 2.835966 8.472848 7.959052 9.674254 2.228108 1.094128 2.894496 2.171638 3.820436 3.757464 2.155019 2.699491 6.522986 2.775609 7.909057 6.908694 4.981989 9.489823 8.748684 3.055637 0.000000 3.164858 5.337049 4.777811 5.488501 5.108430 3.215797 5.791023 5.487653 7.522132 2.167601 3.502805 1.095749 4.162414 2.181580 3.194950 4.470136 2.144054 3.488564 4.497863 4.869834 4.214829 4.655110 7.041255 6.637901 2.310749 3.713270 0.000000 7.422445 3.212585 2.079905 6.302292 7.229708 3.937966 10.253467 9.509853 11.280843 3.544886 2.128449 4.835095 2.891488 5.709560 5.275025 1.101255 5.030742 8.307626 2.155576 9.801886 8.367652 6.286906 11.282581 10.195041 3.777761 2.454599 5.431734 0.000000 3.085025 5.765226 6.268082 5.629326 5.952394 4.286128 6.252773 6.330057 7.955363 3.553555 4.224587 2.170832 4.816497 2.825574 3.954640 5.463962 1.094010 4.331702 5.463764 5.283510 5.473680 5.203930 7.297345 7.387885 4.275206 3.770495 2.477016 6.122333 0.000000 4.446574 5.255519 5.089962 6.138253 6.620951 4.058783 7.619212 7.474839 9.275433 2.924132 3.167994 2.182212 4.245465 3.510239 4.328733 4.100785 1.095052 5.490571 3.837769 6.672738 6.398356 5.764451 8.740172 8.528809 3.556911 2.618044 2.485618 4.749086 1.769843 0.000000 3.724246 4.259034 5.311067 4.704376 5.601167 3.381154 7.040921 6.856222 8.410217 2.898480 2.999828 2.190587 3.465451 2.810529 3.379504 4.354722 1.094736 5.223130 4.674329 6.357168 6.011752 4.577897 7.998249 7.726917 3.893642 2.341805 3.070937 4.794524 1.766486 1.776256 0.000000 2.455002 7.191017 7.106721 5.946325 4.642408 4.860904 3.262383 3.255556 5.274790 4.558633 6.070051 3.488802 6.178398 3.025069 4.046243 7.133396 4.435145 1.089458 7.336299 2.189177 2.189088 4.849733 4.592530 4.578889 4.547489 6.372401 2.935285 8.089996 4.125025 5.099497 5.192499 0.000000 6.710410 5.223984 2.728198 7.332075 7.520012 4.331935 9.399204 8.838128 10.897432 3.021807 2.799767 3.822841 4.233508 5.195631 5.410257 2.173815 4.152839 7.141841 1.094638 8.598611 7.471870 6.831719 10.626626 9.830383 2.693316 3.134483 3.778499 3.073107 5.062040 3.517403 4.610759 6.553204 0.000000 8.233090 5.471570 2.718646 8.174474 8.620858 5.302587 10.966472 10.312549 12.319242 4.285021 3.486572 5.344675 4.781383 6.612952 6.574032 2.168992 5.551167 8.769566 1.095276 10.257771 8.974620 7.856270 12.152910 11.206246 4.027158 3.777804 5.471399 2.505131 6.536546 4.884723 5.759192 8.247762 1.773599 0.000000 7.291377 5.053159 3.394912 7.524729 8.208384 4.849537 10.301663 9.809144 11.737429 3.724934 2.812094 4.436785 4.294624 5.794355 5.944045 2.175259 4.216037 8.103719 1.094629 9.517230 8.552868 7.300766 11.457504 10.744281 3.874008 2.602106 4.708899 2.486774 5.171826 3.443165 4.337853 7.635650 1.777947 1.768983 0.000000 3.720721 9.176590 9.439241 7.230468 5.670596 6.950997 2.102017 2.911289 4.184135 6.885847 8.369667 5.766393 8.288971 4.995391 5.874562 9.506445 6.502587 2.202043 9.752671 1.092291 2.913839 6.197061 3.151563 4.038468 6.919256 8.619421 5.309476 10.430243 5.944156 7.244030 7.147168 2.421162 8.968357 10.668783 10.017059 0.000000 2.777581 8.618540 9.414153 6.491535 5.404870 6.606748 2.109383 3.174295 4.122710 6.618563 7.948407 5.323178 7.812642 4.435397 5.392739 9.254478 5.727510 2.231745 9.561028 1.089660 3.374381 5.668570 2.951706 4.183894 6.930172 8.004865 5.124341 10.072316 5.020641 6.581642 6.202025 2.793224 8.901960 10.568044 9.661926 1.785813 0.000000 2.875483 5.799446 6.390873 4.012696 2.085757 3.720329 3.165513 2.081260 4.084114 4.291750 5.653880 3.968484 5.087970 2.778898 2.735235 6.744001 5.260025 2.234749 7.493336 3.371162 1.093487 2.782517 4.168167 2.895706 4.336232 6.228263 4.031712 7.546957 5.370489 6.113955 5.586766 2.814695 6.968015 8.351730 7.987370 3.968394 4.178987 0.000000 3.779730 7.439566 7.415401 5.820112 3.808942 5.206039 2.899488 2.095289 4.165815 5.413725 6.915654 4.927000 6.611930 4.058030 4.378303 7.856610 6.217255 2.198787 8.361594 2.903909 1.093674 4.595355 4.020209 3.138825 5.194696 7.504692 4.583471 8.780114 6.161195 6.946216 6.781759 2.425169 7.645793 9.156595 8.901610 2.981873 3.956314 1.813784 0.000000 7.883577 4.315558 0.966956 7.000117 7.262046 4.281685 10.226130 9.324384 11.242483 3.843807 3.217249 5.318713 3.807483 6.138994 5.666206 1.956391 6.050933 8.264888 2.594199 9.811518 8.051715 6.653887 11.325855 10.018573 3.405241 4.067293 5.574588 2.335333 7.093286 5.798823 6.153800 7.920938 2.972235 2.450415 3.590357 10.262452 10.306036 7.251173 8.186032 0.000000 4.902271 10.014325 11.325284 7.144115 5.810198 8.268912 2.125398 3.194320 2.163107 8.738032 10.016574 7.717838 9.468584 6.445126 6.901162 11.362667 8.283993 4.328239 11.949407 3.083831 4.441624 6.475190 1.079611 3.179768 9.047763 10.187938 7.701150 12.096234 7.710429 9.261270 8.526154 5.211750 11.375725 12.938742 12.151042 3.462417 3.060375 5.163759 4.938601 12.236169 0.000000 4.897195 7.629818 8.885352 4.916256 2.905836 6.121452 3.190605 2.117598 2.167400 7.053444 8.222430 6.773949 7.290133 5.360738 5.015377 9.340684 7.886426 4.292351 10.281410 4.428316 3.056955 4.103224 3.179167 1.078684 7.174870 8.767760 6.949544 9.997596 7.867999 8.852679 8.003713 5.184320 9.852202 11.114443 10.777025 4.959270 5.166333 2.977801 3.454931 9.718210 4.203479 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5037332 0.1230691 0.1111354</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.385772" y3="-0.925206" z3="-1.383912">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.453049" y3="2.177597" z3="-0.163947">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.627445" y3="-0.342928" z3="2.046166">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.239667" y3="2.826994" z3="-0.750903">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="1.183319" y3="1.940653" z3="0.775419">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.8616" y3="0.47986" z3="0.405979">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.448594" y3="-0.669796" z3="-0.12543">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.727659" y3="0.006959" z3="0.799531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.439649" y3="1.261169" z3="0.227573">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.352722" y3="-0.924248" z3="0.298819">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.735141" y3="-0.359041" z3="-0.15074">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.332319" y3="-1.636544" z3="-0.631341">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.089509" y3="1.035778" z3="-0.003833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.179231" y3="-0.614928" z3="-0.621437">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.546906" y3="0.586334" z3="-0.105316">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.970007" y3="-0.658348" z3="0.693009">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.815454" y3="-1.965639" z3="-2.051646">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.351861" y3="-1.695999" z3="0.00973">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.437961" y3="-2.106912" z3="0.552967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.797543" y3="-1.945117" z3="-0.480852">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.519215" y3="-0.730793" z3="1.201576">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.20956" y3="1.91482" z3="-0.025399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.482512" y3="0.110037" z3="-0.454628">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.33677" y3="1.175959" z3="0.987239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.393362" y3="-1.395415" z3="1.283205">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.954557" y3="-0.553354" z3="-1.204881">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-1.020715" y3="-2.572941" z3="-0.155182">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.771226" y3="0.012647" z3="0.345778">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-1.00644" y3="-2.424433" z3="-2.62772">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.652977" y3="-2.670689" z3="-2.0272">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.135704" y3="-1.066618" z3="-2.587975">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.876056" y3="-2.626835" z3="0.316443">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.651765" y3="-2.801876" z3="0.86466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.319415" y3="-2.285736" z3="1.178018">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.711978" y3="-2.3313" z3="-0.482783">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.281011" y3="-2.756138" z3="0.068335">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.888369" y3="-2.118318" z3="-1.552818">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.712486" y3="-0.002143" z3="1.319741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.729707" y3="-1.264898" z3="2.132463">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.407838" y3="-0.505091" z3="2.593609">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.226758" y3="-0.179203" z3="-1.181263">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.952647" y3="1.93088" z3="1.655147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3858,-.9252,-1.3839;-3.453,2.1776,-.1639;-4.6274,-.3429,2.0462;-.2397,2.827,-.7509;1.1833,1.9407,.7754;-1.8616,.4799,.406;4.4486,-.6698,-.1254;3.7277,.007,.7995;5.4396,1.2612,.2276;-2.3527,-.9242,.2988;-3.7351,-.359,-.1507;-1.3323,-1.6365,-.6313;-3.0895,1.0358,-.0038;-.1792,-.6149,-.6214;-.5469,.5863,-.1053;-4.97,-.6583,.693;-1.8155,-1.9656,-2.0516;2.3519,-1.696,.0097;-5.438,-2.1069,.553;3.7975,-1.9451,-.4809;2.5192,-.7308,1.2016;.2096,1.9148,-.0254;5.4825,.11,-.4546;4.3368,1.176,.9872;-2.3934,-1.3954,1.2832;-3.9546,-.5534,-1.2049;-1.0207,-2.5729,-.1552;-5.7712,.0126,.3458;-1.0064,-2.4244,-2.6277;-2.653,-2.6707,-2.0272;-2.1357,-1.0666,-2.588;1.8761,-2.6268,.3164;-4.6518,-2.8019,.8647;-6.3194,-2.2857,1.178;-5.712,-2.3313,-.4828;4.281,-2.7561,.0683;3.8884,-2.1183,-1.5528;1.7125,-.0021,1.3197;2.7297,-1.2649,2.1325;-5.4078,-.5051,2.5936;6.2268,-.1792,-1.1813;3.9526,1.9309,1.6551;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.876213 0.000000 6.947176 3.552021 0.000000 4.137844 3.330474 6.092996 0.000000 3.594001 4.736503 6.371383 2.267190 0.000000 3.965267 2.395795 3.319201 3.078649 3.397342 0.000000 3.321128 8.399113 9.337942 5.882053 4.276447 6.436043 0.000000 3.334785 7.563235 8.454837 5.108436 3.195844 5.623018 1.353993 0.000000 4.879655 8.948363 10.355036 5.971922 4.344902 7.345101 2.198960 2.197974 0.000000 4.099746 3.323600 2.926692 4.431561 4.575848 1.491377 6.819283 6.171619 8.093340 0.000000 5.297641 2.552309 2.371257 4.767531 5.507959 2.126934 8.189672 7.531955 9.324428 1.559694 0.000000 2.908673 4.389034 4.438507 4.596885 4.593881 2.415644 5.882984 5.509253 7.415795 1.553636 2.763431 0.000000 5.077225 1.208945 2.910081 3.447923 4.436563 1.408812 7.729603 6.941011 8.535273 2.115692 1.544001 3.259262 0.000000 1.768297 4.327282 5.193909 3.444886 3.215391 2.254885 4.654653 4.203532 5.984343 2.380464 3.596044 1.540587 3.402349 0.000000 2.766732 3.313792 4.705656 2.351964 2.367182 1.414630 5.151048 4.407531 6.033660 2.388755 3.325754 2.415525 2.584014 1.358159 0.000000 6.691841 3.328381 1.431039 6.050505 6.680196 3.322664 9.454100 8.723724 10.595381 2.660126 1.525251 3.992937 2.625247 4.968016 4.663730 0.000000 3.431649 4.838546 5.228054 5.210026 5.678385 3.467350 6.680406 6.538077 8.260971 2.626373 3.143215 1.535900 3.850358 2.558739 3.451084 4.381020 0.000000 1.862710 6.980823 7.395174 5.268022 3.895768 4.758638 2.338300 2.327374 4.280973 4.776220 6.234165 3.740012 6.088621 2.823741 3.691224 7.426530 4.657091 0.000000 7.191054 4.776071 2.449127 7.284625 7.763608 4.416260 10.013466 9.409454 11.391762 3.313908 2.539656 4.298852 3.962543 5.591018 5.622217 1.528702 4.463913 7.819545 0.000000 2.769905 8.346753 8.940540 6.256599 4.848875 6.220360 1.475342 2.335565 3.671327 6.282978 7.704930 5.141337 7.519626 4.195700 5.042173 8.938885 5.828684 1.546844 9.294595 0.000000 2.829706 6.781690 7.206839 4.907286 3.017093 4.614130 2.342470 1.471820 3.666814 4.958645 6.409675 4.360537 6.002630 3.258590 3.583837 7.506819 5.558566 1.542766 8.101299 2.437062 0.000000 3.360771 3.674637 5.725856 1.249089 1.261024 2.556346 4.965849 4.086252 5.276844 3.838062 4.554868 3.918768 3.414241 2.627935 1.530851 5.827969 4.823311 4.198655 6.957251 5.289629 3.720113 0.000000 4.326498 9.176249 10.424509 6.341370 4.831897 7.403607 1.336226 2.159410 1.338783 7.939038 9.234583 7.037307 8.633642 5.710406 6.058281 10.543370 7.753658 3.643950 11.188693 2.657718 3.497304 5.589767 0.000000 4.329624 7.937871 9.153442 5.166317 3.251751 6.264360 2.158089 1.331470 1.341899 7.045147 8.294997 6.532116 7.493431 5.117556 5.039011 9.490382 7.546809 3.625401 10.320427 3.491013 2.642944 4.313376 2.127885 0.000000 4.649350 3.997949 2.584757 5.157978 4.917300 2.137511 7.023043 6.298212 8.338336 1.092092 2.220505 2.202145 2.837566 3.023110 3.043799 2.744212 3.432253 4.922320 3.210773 6.460756 4.958003 4.409683 8.204623 7.210703 0.000000 5.356252 2.965324 3.326614 5.043139 6.044784 2.835995 8.472999 7.959149 9.674477 2.228127 1.094127 2.894543 2.171673 3.820639 3.757660 2.155028 2.699503 6.523176 2.775619 7.909252 6.908852 4.982262 9.490060 8.748829 3.055645 0.000000 3.164805 5.337034 4.777802 5.488554 5.108456 3.215834 5.791044 5.487660 7.522181 2.167613 3.502782 1.095749 4.162411 2.181584 3.194997 4.470123 2.144062 3.488624 4.497857 4.869891 4.214903 4.655151 7.041307 6.637924 2.310775 3.713223 0.000000 7.422534 3.212596 2.079901 6.302492 7.229627 3.937905 10.253414 9.509718 11.280802 3.544877 2.128456 4.835131 2.891476 5.709620 5.275047 1.101252 5.030844 8.307644 2.155579 9.801914 8.367587 6.286959 11.282587 10.194919 3.777748 2.454626 5.431720 0.000000 3.085031 5.764959 6.268138 5.629198 5.952342 4.285971 6.252807 6.330040 7.955402 3.553541 4.224581 2.170828 4.816329 2.825554 3.954543 5.464079 1.094010 4.331852 5.464061 5.283658 5.473771 5.203831 7.297422 7.387872 4.275250 3.770517 2.477035 6.122437 0.000000 4.446574 5.255255 5.090119 6.138202 6.620900 4.058645 7.619227 7.474806 9.275457 2.924136 3.167949 2.182205 4.245288 3.510235 4.328669 4.100936 1.095052 5.490675 3.838129 6.672845 6.398419 5.764393 8.740230 8.528782 3.557036 2.617905 2.485616 4.749189 1.769845 0.000000 3.724320 4.258666 5.311098 4.704254 5.601072 3.380901 7.040922 6.856149 8.410224 2.898438 2.999830 2.190584 3.465199 2.810531 3.379368 4.354860 1.094736 5.223259 4.674679 6.357291 6.011801 4.577776 7.998307 7.726851 3.893652 2.341925 3.070943 4.794658 1.766488 1.776256 0.000000 2.455021 7.191155 7.106596 5.946408 4.642467 4.861034 3.262392 3.255561 5.274814 4.558692 6.070147 3.488931 6.178523 3.025161 4.046367 7.133395 4.435344 1.089458 7.336287 2.189186 2.189085 4.849815 4.592554 4.578901 4.547412 6.372581 2.935408 8.090034 4.125269 5.099679 5.192701 0.000000 6.710426 5.223993 2.728181 7.332178 7.519824 4.331882 9.399073 8.837904 10.897286 3.021798 2.799764 3.822924 4.233498 5.195651 5.410239 2.173810 4.153166 7.141754 1.094637 8.598561 7.471671 6.831685 10.626540 9.830157 2.693269 3.134478 3.778494 3.073104 5.062369 3.517843 4.611114 6.553139 0.000000 8.233130 5.471587 2.718630 8.174599 8.620642 5.302516 10.966323 10.312293 12.319069 4.285008 3.486577 5.344751 4.781371 6.612979 6.574008 2.168992 5.551473 8.769476 1.095275 10.257715 8.974396 7.856233 12.152808 11.205981 4.027112 3.777818 5.471392 2.505134 6.536863 4.885118 5.759547 8.247691 1.773598 0.000000 7.291583 5.053174 3.394911 7.525030 8.208397 4.849529 10.301724 9.809104 11.737513 3.724957 2.812107 4.436910 4.294642 5.794519 5.944160 2.175265 4.216389 8.103807 1.094629 9.517360 8.552849 7.300915 11.457641 10.744263 3.873992 2.602124 4.708892 2.486787 5.172187 3.443529 4.338316 7.635730 1.777947 1.768987 0.000000 3.720719 9.176676 9.439067 7.230425 5.670583 6.951069 2.102011 2.911280 4.184083 6.885881 8.369753 5.766499 8.289053 4.995431 5.874612 9.506433 6.502777 2.202033 9.752681 1.092293 2.913792 6.197044 3.151516 4.038425 6.919157 8.619624 5.309598 10.430275 5.944399 7.244223 7.147356 2.421175 8.968318 10.668726 10.017188 0.000000 2.777596 8.618600 9.414021 6.491522 5.404926 6.606781 2.109385 3.174299 4.122765 6.618578 7.948508 5.323233 7.812711 4.435428 5.392779 9.254516 5.727630 2.231763 9.561114 1.089660 3.374388 5.668584 2.951759 4.183923 6.930062 8.005102 5.124371 10.072411 5.020784 6.581745 6.202183 2.793229 8.901986 10.568081 9.662143 1.785811 0.000000 2.875504 5.799599 6.390505 4.012790 2.085848 3.720400 3.165528 2.081255 4.084180 4.291675 5.653877 3.968478 5.088053 2.778897 2.735314 6.743820 5.260031 2.234743 7.493123 3.371164 1.093483 2.782613 4.168221 2.895747 4.335957 6.228396 4.031723 7.546839 5.370520 6.113953 5.586762 2.814671 6.967733 8.351426 7.987286 3.968353 4.179026 0.000000 3.779741 7.439808 7.415198 5.820186 3.808995 5.206249 2.899448 2.095288 4.165741 5.413813 6.915768 4.927148 6.612121 4.058121 4.378459 7.856559 6.217419 2.198775 8.361495 2.903858 1.093675 4.595445 4.020127 3.138786 5.194623 7.504901 4.583663 8.780104 6.161384 6.946390 6.781893 2.425185 7.645637 9.156401 8.901616 2.981772 3.956276 1.813782 0.000000 7.883546 4.315336 0.966955 6.999895 7.261599 4.281548 10.225925 9.324066 11.242142 3.843890 3.217249 5.318867 3.807312 6.138966 5.666044 1.956390 6.051182 8.264843 2.594409 9.811474 8.051513 6.653595 11.325628 10.018171 3.405422 4.067293 5.574827 2.335133 7.093550 5.799219 6.153940 7.921010 2.972563 2.450626 3.590506 10.262457 10.306057 7.250842 8.185939 0.000000 4.902319 10.014395 11.325053 7.144025 5.810221 8.268932 2.125402 3.194323 2.163107 8.738032 10.016674 7.717894 9.468651 6.445150 6.901177 11.362659 8.284087 4.328274 11.949447 3.083846 4.441626 6.475154 1.079611 3.179767 9.047609 10.188214 7.701214 12.096292 7.710541 9.261361 8.526260 5.211778 11.375697 12.938707 12.151247 3.462371 3.060438 5.163818 4.938509 12.235999 0.000000 4.897138 7.629830 8.884880 4.916055 2.905718 6.121385 3.190601 2.117586 2.167407 7.053302 8.222351 6.773877 7.290089 5.360633 5.015278 9.340427 7.886328 4.292338 10.281152 4.428307 3.056952 4.103071 3.179167 1.078683 7.174567 8.767842 6.949535 9.997389 7.867925 8.852593 8.003568 5.184316 9.851892 11.114080 10.776916 4.959227 5.166350 2.977818 3.454911 9.717682 4.203481 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5037177 0.1230698 0.1111376</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.385796" y3="-0.925122" z3="-1.383923">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.453238" y3="2.177496" z3="-0.16429">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.627311" y3="-0.34287" z3="2.046172">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.239772" y3="2.827146" z3="-0.750766">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="1.183311" y3="1.940627" z3="0.775365">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.861686" y3="0.479898" z3="0.405783">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.44858" y3="-0.669811" z3="-0.125409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.727627" y3="0.006943" z3="0.79954">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.43974" y3="1.261071" z3="0.227775">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.352716" y3="-0.924244" z3="0.298723">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.735191" y3="-0.359147" z3="-0.15081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.332289" y3="-1.636499" z3="-0.631441">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.089627" y3="1.035716" z3="-0.004052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.179217" y3="-0.614858" z3="-0.621477">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.546959" y3="0.586403" z3="-0.105406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.969986" y3="-0.658401" z3="0.693066">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.815411" y3="-1.965539" z3="-2.051757">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.351838" y3="-1.696001" z3="0.009705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.437936" y3="-2.106982" z3="0.553192">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.797518" y3="-1.945115" z3="-0.480878">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.519187" y3="-0.730818" z3="1.201565">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.209514" y3="1.914881" z3="-0.025404">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.48257" y3="0.109979" z3="-0.454499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.336816" y3="1.17588" z3="0.987376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.393269" y3="-1.395362" z3="1.283139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.954679" y3="-0.553583" z3="-1.204912">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-1.020668" y3="-2.572907" z3="-0.155312">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.771238" y3="0.012561" z3="0.345852">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-1.006412" y3="-2.424344" z3="-2.627843">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.652957" y3="-2.670563" z3="-2.027336">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.135634" y3="-1.066495" z3="-2.588064">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.87601" y3="-2.626839" z3="0.316379">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.651699" y3="-2.801905" z3="0.864874">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.319325" y3="-2.285767" z3="1.178345">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.712046" y3="-2.33147" z3="-0.482512">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.280986" y3="-2.756163" z3="0.068271">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.888341" y3="-2.118274" z3="-1.552851">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.712457" y3="-0.002175" z3="1.319738">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.729684" y3="-1.264936" z3="2.132444">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.40774" y3="-0.504736" z3="2.593649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.226834" y3="-0.179261" z3="-1.181116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.952694" y3="1.930787" z3="1.655301">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3858,-.9251,-1.3839;-3.4532,2.1775,-.1643;-4.6273,-.3429,2.0462;-.2398,2.8271,-.7508;1.1833,1.9406,.7754;-1.8617,.4799,.4058;4.4486,-.6698,-.1254;3.7276,.0069,.7995;5.4397,1.2611,.2278;-2.3527,-.9242,.2987;-3.7352,-.3591,-.1508;-1.3323,-1.6365,-.6314;-3.0896,1.0357,-.0041;-.1792,-.6149,-.6215;-.547,.5864,-.1054;-4.97,-.6584,.6931;-1.8154,-1.9655,-2.0518;2.3518,-1.696,.0097;-5.4379,-2.107,.5532;3.7975,-1.9451,-.4809;2.5192,-.7308,1.2016;.2095,1.9149,-.0254;5.4826,.11,-.4545;4.3368,1.1759,.9874;-2.3933,-1.3954,1.2831;-3.9547,-.5536,-1.2049;-1.0207,-2.5729,-.1553;-5.7712,.0126,.3459;-1.0064,-2.4243,-2.6278;-2.653,-2.6706,-2.0273;-2.1356,-1.0665,-2.5881;1.876,-2.6268,.3164;-4.6517,-2.8019,.8649;-6.3193,-2.2858,1.1783;-5.712,-2.3315,-.4825;4.281,-2.7562,.0683;3.8883,-2.1183,-1.5529;1.7125,-.0022,1.3197;2.7297,-1.2649,2.1324;-5.4077,-.5047,2.5936;6.2268,-.1793,-1.1811;3.9527,1.9308,1.6553;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.876222 0.000000 6.947087 3.552019 0.000000 4.137979 3.330520 6.092812 0.000000 3.593890 4.736734 6.371235 2.267191 0.000000 3.965257 2.395801 3.319112 3.078600 3.397400 0.000000 3.321097 8.399250 9.337797 5.882212 4.276419 6.436105 0.000000 3.334730 7.563405 8.454670 5.108547 3.195820 5.623091 1.353993 0.000000 4.879700 8.948665 10.354936 5.972184 4.344979 7.345253 2.198964 2.197973 0.000000 4.099728 3.323601 2.926663 4.431578 4.575824 1.491372 6.819256 6.171588 8.093393 0.000000 5.297679 2.552300 2.371259 4.767637 5.508032 2.126926 8.189705 7.531988 9.324580 1.559696 0.000000 2.908654 4.388988 4.438497 4.596950 4.593819 2.415622 5.882941 5.509207 7.415830 1.553635 2.763435 0.000000 5.077237 1.208947 2.910049 3.447967 4.436706 1.408807 7.729691 6.941116 8.535493 2.115692 1.543998 3.259231 0.000000 1.768292 4.327293 5.193829 3.444963 3.215300 2.254873 4.654634 4.203494 5.984398 2.380459 3.596090 1.540592 3.402365 0.000000 2.766741 3.313835 4.705540 2.351974 2.367174 1.414625 5.151105 4.407583 6.033801 2.388752 3.325800 2.415522 2.584050 1.358157 0.000000 6.691860 3.328348 1.431042 6.050505 6.680179 3.322618 9.454069 8.723675 10.595436 2.660128 1.525254 3.992973 2.625215 4.968036 4.663718 0.000000 3.431647 4.838362 5.228084 5.210091 5.678300 3.467248 6.680368 6.538032 8.261023 2.626356 3.143192 1.535895 3.850228 2.558744 3.451038 4.381097 0.000000 1.862710 6.980914 7.395044 5.268170 3.895735 4.758697 2.338301 2.327371 4.281002 4.776187 6.234169 3.739973 6.088678 2.823739 3.691293 7.426486 4.657064 0.000000 7.191142 4.776040 2.449121 7.284698 7.763595 4.416247 10.013449 9.409406 11.391818 3.313941 2.539663 4.298959 3.962527 5.591100 5.622253 1.528701 4.464129 7.819517 0.000000 2.769888 8.346833 8.940409 6.256758 4.848837 6.220406 1.475344 2.335569 3.671336 6.282940 7.704930 5.141287 7.519673 4.195686 5.042226 8.938843 5.828641 1.546843 9.294574 0.000000 2.829678 6.781867 7.206684 4.907398 3.017090 4.614233 2.342465 1.471817 3.666814 4.958626 6.409704 4.360508 6.002745 3.258576 3.583922 7.506766 5.558542 1.542762 8.101235 2.437060 0.000000 3.360778 3.674780 5.725708 1.249093 1.261022 2.556358 4.965915 4.086304 5.277010 3.838061 4.554956 3.918767 3.414340 2.627925 1.530851 5.827967 4.823286 4.198720 6.957287 5.289688 3.720184 0.000000 4.326525 9.176465 10.424400 6.341606 4.831922 7.403716 1.336228 2.159410 1.338785 7.939059 9.234686 7.037314 8.633797 5.710438 6.058388 10.543398 7.753679 3.643972 11.188735 2.657725 3.497303 5.589894 0.000000 4.329640 7.938168 9.153317 5.166524 3.251827 6.264508 2.158090 1.331468 1.341899 7.045183 8.295123 6.532135 7.493640 5.117588 5.039138 9.490404 7.546837 3.625421 10.320439 3.491020 2.642943 4.313522 2.127887 0.000000 4.649265 3.997987 2.584744 5.157895 4.917172 2.137506 7.022914 6.298071 8.338253 1.092094 2.220519 2.202144 2.837589 3.023040 3.043732 2.744225 3.432281 4.922200 3.210798 6.460637 4.957872 4.409588 8.204527 7.210603 0.000000 5.356375 2.965321 3.326617 5.043422 6.044958 2.836026 8.473110 7.959262 9.674744 2.228137 1.094126 2.894565 2.171693 3.820767 3.757797 2.155031 2.699488 6.523233 2.775613 7.909308 6.908942 4.982475 9.490263 8.749060 3.055649 0.000000 3.164766 5.337022 4.777810 5.488618 5.108392 3.215860 5.790971 5.487593 7.522168 2.167623 3.502769 1.095749 4.162406 2.181583 3.195016 4.470145 2.144065 3.488551 4.497924 4.869808 4.214852 4.655154 7.041270 6.637904 2.310798 3.713186 0.000000 7.422567 3.212524 2.079901 6.302505 7.229638 3.937841 10.253409 9.509695 11.280902 3.544872 2.128456 4.835160 2.891421 5.709647 5.275037 1.101250 5.030902 8.307619 2.155584 9.801891 8.367556 6.286974 11.282652 10.194980 3.777754 2.454644 5.431733 0.000000 3.085071 5.764806 6.268162 5.629325 5.952284 4.285908 6.252799 6.330026 7.955483 3.553536 4.224568 2.170833 4.816231 2.825596 3.954540 5.464148 1.094010 4.331856 5.464257 5.283641 5.473777 5.203848 7.297472 7.387929 4.275272 3.770512 2.477030 6.122494 0.000000 4.446580 5.255004 5.090157 6.138233 6.620813 4.058520 7.619198 7.474766 9.275507 2.924094 3.167843 2.182196 4.245099 3.510236 4.328611 4.100976 1.095052 5.490654 3.838340 6.672814 6.398398 5.764353 8.740254 8.528807 3.557080 2.617721 2.485635 4.749195 1.769843 0.000000 3.724300 4.258431 5.311143 4.704295 5.600967 3.380755 7.040874 6.856089 8.410279 2.898431 2.999856 2.190581 3.465042 2.810517 3.379283 4.354987 1.094737 5.223225 4.674966 6.357240 6.011766 4.577723 7.998326 7.726877 3.893680 2.342032 3.070946 4.794773 1.766488 1.776253 0.000000 2.455031 7.191215 7.106468 5.946536 4.642440 4.861089 3.262400 3.255571 5.274834 4.558647 6.070113 3.488885 6.178555 3.025162 4.046432 7.133324 4.435310 1.089459 7.336221 2.189192 2.189093 4.849871 4.592570 4.578916 4.547296 6.372570 2.935327 8.089976 4.125264 5.099653 5.192663 0.000000 6.710496 5.223976 2.728170 7.332231 7.519772 4.331879 9.399020 8.837817 10.897285 3.021831 2.799762 3.823038 4.233489 5.195720 5.410265 2.173806 4.153405 7.141699 1.094637 8.598512 7.471571 6.831695 10.626534 9.830116 2.693291 3.134454 3.778573 3.073104 5.062583 3.518110 4.611401 6.553052 0.000000 8.233193 5.471549 2.718619 8.174614 8.620577 5.302481 10.966261 10.312190 12.319061 4.285028 3.486584 5.344849 4.781345 6.613034 6.574009 2.168993 5.551697 8.769413 1.095275 10.257660 8.974280 7.856220 12.152798 11.205928 4.027124 3.777820 5.471459 2.505146 6.537073 4.885357 5.759838 8.247596 1.773595 0.000000 7.291756 5.053143 3.394911 7.525228 8.208472 4.849549 10.301794 9.809142 11.737682 3.725011 2.812124 4.437053 4.294641 5.794675 5.944267 2.175269 4.216657 8.103845 1.094630 9.517409 8.552859 7.301048 11.457786 10.744380 3.874029 2.602130 4.708968 2.486799 5.172433 3.443761 4.338690 7.635710 1.777946 1.768989 0.000000 3.720713 9.176780 9.438953 7.230589 5.670574 6.951145 2.102015 2.911308 4.184056 6.885858 8.369754 5.766463 8.289120 4.995434 5.874689 9.506390 6.502743 2.202042 9.752642 1.092294 2.913814 6.197121 3.151486 4.038420 6.919057 8.619659 5.309530 10.430249 5.944384 7.244202 7.147314 2.421196 8.968251 10.668652 10.017206 0.000000 2.777567 8.618615 9.413892 6.491674 5.404855 6.606781 2.109386 3.174291 4.122796 6.618521 7.948490 5.323164 7.812712 4.435398 5.392798 9.254477 5.727567 2.231757 9.561118 1.089660 3.374378 5.668616 2.951788 4.183938 6.929939 8.005141 5.124273 10.072388 5.020746 6.581698 6.202111 2.793230 8.901968 10.568062 9.662220 1.785808 0.000000 2.875468 5.799803 6.390339 4.012884 2.085862 3.720511 3.165526 2.081250 4.084216 4.291656 5.653920 3.968449 5.088187 2.778872 2.735401 6.743767 5.260003 2.234735 7.493058 3.371159 1.093480 2.782688 4.168243 2.895780 4.335815 6.228510 4.031675 7.546811 5.370525 6.113922 5.586725 2.814665 6.967630 8.351306 7.987300 3.968370 4.179009 0.000000 3.779728 7.440017 7.415054 5.820284 3.809011 5.206388 2.899427 2.095281 4.165679 5.413815 6.915802 4.927143 6.612261 4.058127 4.378564 7.856501 6.217417 2.198774 8.361405 2.903854 1.093676 4.595520 4.020081 3.138732 5.194514 7.504977 4.583640 8.780067 6.161410 6.946394 6.781880 2.425208 7.645510 9.156253 8.901589 2.981796 3.956271 1.813782 0.000000 7.883523 4.315169 0.966955 6.999603 7.261399 4.281444 10.225829 9.323926 11.242032 3.843937 3.217246 5.318966 3.807189 6.138942 5.665922 1.956389 6.051328 8.264801 2.594526 9.811432 8.051409 6.653385 11.325544 10.018032 3.405539 4.067289 5.574991 2.335020 7.093699 5.799409 6.154057 7.921004 2.972751 2.450744 3.590589 10.262450 10.306023 7.250698 8.185859 0.000000 4.902355 10.014590 11.324955 7.144275 5.810238 8.269032 2.125404 3.194323 2.163110 8.738054 10.016777 7.717902 9.468796 6.445187 6.901280 11.362698 8.284112 4.328296 11.949509 3.083852 4.441625 6.475279 1.079611 3.179769 9.047520 10.188419 7.701175 12.096369 7.710594 9.261391 8.526286 5.211794 11.375712 12.938722 12.151415 3.462328 3.060475 5.163838 4.938464 12.235935 0.000000 4.897148 7.630177 8.884750 4.916237 2.905833 6.121551 3.190601 2.117583 2.167408 7.053347 8.222494 6.773903 7.290329 5.360664 5.015410 9.340450 7.886360 4.292356 10.281155 4.428313 3.056953 4.103221 3.179169 1.078683 7.174469 8.768093 6.949525 9.997454 7.867987 8.852619 8.003598 5.184331 9.851839 11.114009 10.777025 4.959228 5.166360 2.977853 3.454861 9.717510 4.203483 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5037109 0.1230685 0.1111374</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.385795" y3="-0.925042" z3="-1.383919">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.453387" y3="2.177428" z3="-0.164474">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.62729" y3="-0.342863" z3="2.046163">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.239863" y3="2.827262" z3="-0.750627">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="1.183287" y3="1.940643" z3="0.775379">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.861753" y3="0.479932" z3="0.405706">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.448593" y3="-0.669847" z3="-0.12541">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.727657" y3="0.006941" z3="0.799523">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.439884" y3="1.260954" z3="0.227844">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.35272" y3="-0.924236" z3="0.298695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.735223" y3="-0.359217" z3="-0.150845">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.332273" y3="-1.636459" z3="-0.631467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.089719" y3="1.035675" z3="-0.004162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.17922" y3="-0.614797" z3="-0.62147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.547004" y3="0.58646" z3="-0.105422">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.969993" y3="-0.658456" z3="0.693077">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.815382" y3="-1.96547" z3="-2.051793">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.351813" y3="-1.695958" z3="0.0097">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.437928" y3="-2.107048" z3="0.553281">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.797481" y3="-1.945124" z3="-0.480894">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.519185" y3="-0.730768" z3="1.201551">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.209458" y3="1.914941" z3="-0.025354">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.482659" y3="0.109867" z3="-0.454445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.336919" y3="1.175834" z3="0.987395">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.393229" y3="-1.39533" z3="1.283124">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.954729" y3="-0.553727" z3="-1.20493">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-1.020638" y3="-2.572872" z3="-0.155357">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.771259" y3="0.012483" z3="0.345856">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-1.006389" y3="-2.424281" z3="-2.627881">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.652942" y3="-2.670478" z3="-2.027392">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.135585" y3="-1.066411" z3="-2.58809">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.875952" y3="-2.626778" z3="0.316377">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.651669" y3="-2.801946" z3="0.864962">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.31929" y3="-2.285822" z3="1.178474">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.712072" y3="-2.331585" z3="-0.482404">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.280934" y3="-2.756198" z3="0.068227">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.88828" y3="-2.118261" z3="-1.552874">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.712477" y3="-0.002091" z3="1.319685">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.72965" y3="-1.264871" z3="2.132446">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.407736" y3="-0.504618" z3="2.59365">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.226932" y3="-0.179422" z3="-1.181032">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.95284" y3="1.930757" z3="1.655327">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3858,-.925,-1.3839;-3.4534,2.1774,-.1645;-4.6273,-.3429,2.0462;-.2399,2.8273,-.7506;1.1833,1.9406,.7754;-1.8618,.4799,.4057;4.4486,-.6698,-.1254;3.7277,.0069,.7995;5.4399,1.261,.2278;-2.3527,-.9242,.2987;-3.7352,-.3592,-.1508;-1.3323,-1.6365,-.6315;-3.0897,1.0357,-.0042;-.1792,-.6148,-.6215;-.547,.5865,-.1054;-4.97,-.6585,.6931;-1.8154,-1.9655,-2.0518;2.3518,-1.696,.0097;-5.4379,-2.107,.5533;3.7975,-1.9451,-.4809;2.5192,-.7308,1.2016;.2095,1.9149,-.0254;5.4827,.1099,-.4544;4.3369,1.1758,.9874;-2.3932,-1.3953,1.2831;-3.9547,-.5537,-1.2049;-1.0206,-2.5729,-.1554;-5.7713,.0125,.3459;-1.0064,-2.4243,-2.6279;-2.6529,-2.6705,-2.0274;-2.1356,-1.0664,-2.5881;1.876,-2.6268,.3164;-4.6517,-2.8019,.865;-6.3193,-2.2858,1.1785;-5.7121,-2.3316,-.4824;4.2809,-2.7562,.0682;3.8883,-2.1183,-1.5529;1.7125,-.0021,1.3197;2.7296,-1.2649,2.1324;-5.4077,-.5046,2.5936;6.2269,-.1794,-1.181;3.9528,1.9308,1.6553;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.876228 0.000000 6.947056 3.552018 0.000000 4.138068 3.330555 6.092720 0.000000 3.593846 4.736891 6.371192 2.267188 0.000000 3.965260 2.395808 3.319079 3.078569 3.397440 0.000000 3.321099 8.399393 9.337789 5.882371 4.276483 6.436191 0.000000 3.334715 7.563577 8.454679 5.108658 3.195873 5.623194 1.353992 0.000000 4.879753 8.948973 10.355023 5.972458 4.345158 7.345443 2.198963 2.197974 0.000000 4.099718 3.323600 2.926654 4.431589 4.575817 1.491372 6.819270 6.171621 8.093501 0.000000 5.297684 2.552290 2.371264 4.767695 5.508083 2.126925 8.189749 7.532054 9.324749 1.559695 0.000000 2.908641 4.388957 4.438494 4.596995 4.593791 2.415614 5.882928 5.509209 7.415897 1.553633 2.763425 0.000000 5.077241 1.208947 2.910038 3.447995 4.436804 1.408809 7.729791 6.941240 8.535732 2.115690 1.543993 3.259208 0.000000 1.768291 4.327302 5.193798 3.445015 3.215257 2.254870 4.654649 4.203506 5.984489 2.380454 3.596105 1.540593 3.402372 0.000000 2.766751 3.313869 4.705496 2.351981 2.367177 1.414625 5.151185 4.407663 6.033974 2.388749 3.325824 2.415521 2.584076 1.358157 0.000000 6.691863 3.328322 1.431043 6.050507 6.680190 3.322599 9.454090 8.723714 10.595571 2.660130 1.525256 3.992983 2.625196 4.968043 4.663716 0.000000 3.431630 4.838247 5.228090 5.210141 5.678259 3.467195 6.680343 6.538019 8.261080 2.626347 3.143158 1.535894 3.850143 2.558744 3.451013 4.381115 0.000000 1.862706 6.980960 7.394993 5.268244 3.895713 4.758725 2.338300 2.327366 4.281016 4.776160 6.234152 3.739936 6.088702 2.823723 3.691318 7.426457 4.657028 0.000000 7.191181 4.776014 2.449118 7.284741 7.763608 4.416251 10.013464 9.409438 11.391933 3.313965 2.539667 4.299009 3.962516 5.591141 5.622278 1.528700 4.464223 7.819497 0.000000 2.769882 8.346894 8.940359 6.256881 4.848857 6.220441 1.475346 2.335573 3.671339 6.282909 7.704911 5.141237 7.519705 4.195674 5.042266 8.938810 5.828582 1.546842 9.294542 0.000000 2.829659 6.781980 7.206660 4.907435 3.017065 4.614303 2.342467 1.471816 3.666816 4.958633 6.409731 4.360500 6.002823 3.258565 3.583963 7.506768 5.558526 1.542762 8.101237 2.437072 0.000000 3.360799 3.674873 5.725643 1.249095 1.261021 2.556361 4.966025 4.086393 5.277231 3.838059 4.555003 3.918769 3.414401 2.627927 1.530852 5.827970 4.823279 4.198750 6.957311 5.289756 3.720203 0.000000 4.326575 9.176699 10.424446 6.341862 4.832060 7.403864 1.336230 2.159413 1.338786 7.939128 9.234801 7.037350 8.633976 5.710508 6.058531 10.543484 7.753706 3.643986 11.188808 2.657727 3.497308 5.590085 0.000000 4.329658 7.938442 9.153386 5.166708 3.251966 6.264677 2.158088 1.331468 1.341900 7.045273 8.295267 6.532185 7.493850 5.117647 5.039278 9.490514 7.546871 3.625427 10.320533 3.491023 2.642943 4.313684 2.127888 0.000000 4.649228 3.998010 2.584752 5.157849 4.917111 2.137508 7.022879 6.298053 8.338293 1.092095 2.220529 2.202142 2.837604 3.023003 3.043699 2.744240 3.432294 4.922135 3.210826 6.460567 4.957833 4.409534 8.204534 7.210633 0.000000 5.356409 2.965316 3.326621 5.043580 6.045056 2.836044 8.473174 7.959349 9.674951 2.228138 1.094126 2.894555 2.171700 3.820815 3.757863 2.155031 2.699445 6.523227 2.775606 7.909297 6.908984 4.982587 9.490410 8.749234 3.055649 0.000000 3.164748 5.337012 4.777820 5.488661 5.108363 3.215879 5.790932 5.487580 7.522195 2.167627 3.502750 1.095749 4.162399 2.181583 3.195028 4.470149 2.144068 3.488503 4.497955 4.869735 4.214843 4.655159 7.041266 6.637929 2.310809 3.713144 0.000000 7.422567 3.212468 2.079900 6.302506 7.229661 3.937807 10.253441 9.509744 11.281061 3.544866 2.128454 4.835160 2.891382 5.709650 5.275030 1.101249 5.030902 8.307591 2.155585 9.801863 8.367563 6.286980 11.282758 10.195108 3.777764 2.454650 5.431728 0.000000 3.085078 5.764712 6.268167 5.629418 5.952261 4.285878 6.252777 6.330018 7.955536 3.553533 4.224540 2.170837 4.816167 2.825620 3.954541 5.464162 1.094009 4.331836 5.464336 5.283588 5.473775 5.203872 7.297497 7.387962 4.275281 3.770475 2.477026 6.122493 0.000000 4.446573 5.254843 5.090157 6.138259 6.620772 4.058452 7.619178 7.474762 9.275564 2.924069 3.167758 2.182194 4.244975 3.510235 4.328579 4.100965 1.095052 5.490629 3.838420 6.672762 6.398395 5.764336 8.740280 8.528847 3.557102 2.617581 2.485651 4.749157 1.769842 0.000000 3.724263 4.258287 5.311159 4.704330 5.600911 3.380677 7.040842 6.856064 8.410341 2.898429 2.999855 2.190580 3.464942 2.810501 3.379232 4.355038 1.094737 5.223177 4.675104 6.357175 6.011732 4.577697 7.998357 7.726905 3.893696 2.342064 3.070948 4.794807 1.766488 1.776252 0.000000 2.455028 7.191208 7.106376 5.946572 4.642391 4.861077 3.262397 3.255566 5.274837 4.558577 6.070042 3.488817 6.178527 3.025120 4.046422 7.133243 4.435258 1.089459 7.336149 2.189193 2.189094 4.849865 4.592573 4.578917 4.547193 6.372500 2.935247 8.089895 4.125233 5.099613 5.192601 0.000000 6.710531 5.223963 2.728172 7.332267 7.519766 4.331891 9.399014 8.837830 10.897363 3.021857 2.799762 3.823095 4.233486 5.195759 5.410288 2.173804 4.153514 7.141670 1.094637 8.598466 7.471561 6.831709 10.626575 9.830181 2.693322 3.134433 3.778612 3.073104 5.062673 3.518225 4.611544 6.552974 0.000000 8.233221 5.471518 2.718610 8.174625 8.620566 5.302472 10.966258 10.312202 12.319152 4.285044 3.486589 5.344895 4.781328 6.613062 6.574016 2.168993 5.551796 8.769379 1.095275 10.257614 8.974262 7.856219 12.152850 11.205997 4.027144 3.777819 5.471491 2.505155 6.537158 4.885453 5.759979 8.247512 1.773593 0.000000 7.291832 5.053112 3.394911 7.525338 8.208527 4.849570 10.301842 9.809206 11.737842 3.725050 2.812135 4.437123 4.294635 5.794753 5.944328 2.175270 4.216778 8.103853 1.094630 9.517403 8.552890 7.301124 11.457900 10.744512 3.874066 2.602130 4.709005 2.486800 5.172536 3.443852 4.338875 7.635660 1.777946 1.768990 0.000000 3.720711 9.176849 9.438902 7.230709 5.670609 6.951190 2.102015 2.911331 4.184035 6.885824 8.369725 5.766410 8.289154 4.995423 5.874735 9.506346 6.502678 2.202055 9.752587 1.092293 2.913855 6.197194 3.151454 4.038425 6.918988 8.619627 5.309451 10.430209 5.944321 7.244144 7.147246 2.421212 8.968182 10.668583 10.017169 0.000000 2.777543 8.618624 9.413821 6.491792 5.404854 6.606779 2.109386 3.174281 4.122806 6.618466 7.948441 5.323091 7.812701 4.435366 5.392808 9.254422 5.727480 2.231750 9.561075 1.089661 3.374376 5.668665 2.951804 4.183934 6.929853 8.005100 5.124178 10.072335 5.020664 6.581618 6.202017 2.793233 8.901915 10.568010 9.662204 1.785808 0.000000 2.875419 5.799929 6.390347 4.012862 2.085792 3.720595 3.165522 2.081250 4.084234 4.291689 5.653974 3.968457 5.088282 2.778850 2.735430 6.743801 5.259992 2.234725 7.493097 3.371158 1.093483 2.782662 4.168255 2.895794 4.335813 6.228580 4.031697 7.546844 5.370522 6.113927 5.586686 2.814663 6.967662 8.351326 7.987365 3.968404 4.178982 0.000000 3.779716 7.440108 7.414991 5.820280 3.808961 5.206433 2.899437 2.095282 4.165654 5.413793 6.915794 4.927120 6.612311 4.058099 4.378578 7.856463 6.217396 2.198784 8.361360 2.903886 1.093676 4.595505 4.020071 3.138709 5.194444 7.504980 4.583620 8.780033 6.161406 6.946387 6.781840 2.425221 7.645455 9.156185 8.901572 2.981869 3.956297 1.813790 0.000000 7.883519 4.315101 0.966955 6.999465 7.261335 4.281405 10.225840 9.323946 11.242115 3.843958 3.217249 5.319007 3.807142 6.138934 5.665876 1.956390 6.051382 8.264786 2.594571 9.811416 8.051407 6.653294 11.325598 10.018097 3.405598 4.067290 5.575063 2.334978 7.093754 5.799471 6.154105 7.920962 2.972829 2.450784 3.590618 10.262441 10.305989 7.250720 8.185825 0.000000 4.902419 10.014824 11.325000 7.144567 5.810385 8.269178 2.125405 3.194324 2.163113 8.738122 10.016893 7.717937 9.468974 6.445265 6.901429 11.362785 8.284142 4.328310 11.949583 3.083850 4.441629 6.475487 1.079611 3.179771 9.047523 10.188567 7.701162 12.096479 7.710622 9.261418 8.526327 5.211795 11.375750 12.938775 12.151531 3.462273 3.060500 5.163849 4.938454 12.235991 0.000000 4.897175 7.630513 8.884859 4.916411 2.905999 6.121759 3.190601 2.117587 2.167405 7.053476 8.222685 6.773985 7.290591 5.360743 5.015573 9.340605 7.886426 4.292370 10.281288 4.428321 3.056958 4.103394 3.179170 1.078684 7.174537 8.768317 6.949585 9.997629 7.868048 8.852692 8.003657 5.184339 9.851941 11.114117 10.777197 4.959242 5.166359 2.977883 3.454833 9.717607 4.203485 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5037113 0.1230663 0.1111359</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.385801" y3="-0.924949" z3="-1.383925">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.453542" y3="2.177367" z3="-0.164648">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.62725" y3="-0.342854" z3="2.046164">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.240027" y3="2.827392" z3="-0.750509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="1.183292" y3="1.94067" z3="0.775276">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.861822" y3="0.479972" z3="0.405616">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.448615" y3="-0.669901" z3="-0.125379">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.727708" y3="0.006928" z3="0.799543">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.440045" y3="1.260817" z3="0.227927">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.352726" y3="-0.924223" z3="0.298653">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.735262" y3="-0.359281" z3="-0.150875">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.332265" y3="-1.636413" z3="-0.631519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.089814" y3="1.035641" z3="-0.00428">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.17923" y3="-0.614729" z3="-0.621493">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.547056" y3="0.586526" z3="-0.105471">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.969995" y3="-0.658515" z3="0.693104">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.815363" y3="-1.96539" z3="-2.051858">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.351776" y3="-1.695896" z3="0.0097">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.437902" y3="-2.107123" z3="0.55339">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.797434" y3="-1.945139" z3="-0.480883">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.519177" y3="-0.730699" z3="1.201546">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.209383" y3="1.915016" z3="-0.02536">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.482746" y3="0.109741" z3="-0.454382">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.33706" y3="1.175767" z3="0.987457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.393181" y3="-1.395298" z3="1.283094">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.954799" y3="-0.553859" z3="-1.204941">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-1.020618" y3="-2.572833" z3="-0.155433">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.771286" y3="0.012393" z3="0.345879">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-1.006366" y3="-2.424186" z3="-2.627953">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.652923" y3="-2.6704" z3="-2.027482">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.135564" y3="-1.066318" z3="-2.588134">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.875869" y3="-2.626691" z3="0.316382">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.651613" y3="-2.801991" z3="0.865064">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.319231" y3="-2.285892" z3="1.178631">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.712089" y3="-2.331712" z3="-0.482273">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.280848" y3="-2.756251" z3="0.068217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.888216" y3="-2.118257" z3="-1.552868">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.712505" y3="-0.001969" z3="1.319632">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.729578" y3="-1.264796" z3="2.132458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.407682" y3="-0.504574" z3="2.59368">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.227013" y3="-0.179596" z3="-1.180955">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.953041" y3="1.930705" z3="1.655408">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3858,-.9249,-1.3839;-3.4535,2.1774,-.1646;-4.6273,-.3429,2.0462;-.24,2.8274,-.7505;1.1833,1.9407,.7753;-1.8618,.48,.4056;4.4486,-.6699,-.1254;3.7277,.0069,.7995;5.44,1.2608,.2279;-2.3527,-.9242,.2987;-3.7353,-.3593,-.1509;-1.3323,-1.6364,-.6315;-3.0898,1.0356,-.0043;-.1792,-.6147,-.6215;-.5471,.5865,-.1055;-4.97,-.6585,.6931;-1.8154,-1.9654,-2.0519;2.3518,-1.6959,.0097;-5.4379,-2.1071,.5534;3.7974,-1.9451,-.4809;2.5192,-.7307,1.2015;.2094,1.915,-.0254;5.4827,.1097,-.4544;4.3371,1.1758,.9875;-2.3932,-1.3953,1.2831;-3.9548,-.5539,-1.2049;-1.0206,-2.5728,-.1554;-5.7713,.0124,.3459;-1.0064,-2.4242,-2.628;-2.6529,-2.6704,-2.0275;-2.1356,-1.0663,-2.5881;1.8759,-2.6267,.3164;-4.6516,-2.802,.8651;-6.3192,-2.2859,1.1786;-5.7121,-2.3317,-.4823;4.2808,-2.7563,.0682;3.8882,-2.1183,-1.5529;1.7125,-.002,1.3196;2.7296,-1.2648,2.1325;-5.4077,-.5046,2.5937;6.227,-.1796,-1.181;3.953,1.9307,1.6554;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.876244 0.000000 6.947022 3.552013 0.000000 4.138188 3.330532 6.092583 0.000000 3.593735 4.737058 6.371188 2.267187 0.000000 3.965263 2.395814 3.319041 3.078510 3.397500 0.000000 3.321117 8.399558 9.337767 5.882620 4.276517 6.436286 0.000000 3.334735 7.563784 8.454687 5.108875 3.195935 5.623326 1.353989 0.000000 4.879809 8.949306 10.355104 5.972831 4.345312 7.345648 2.198962 2.197972 0.000000 4.099713 3.323599 2.926644 4.431575 4.575828 1.491373 6.819290 6.171678 8.093620 0.000000 5.297704 2.552282 2.371264 4.767716 5.508149 2.126924 8.189809 7.532152 9.324938 1.559692 0.000000 2.908638 4.388930 4.438491 4.597032 4.593759 2.415609 5.882933 5.509250 7.415981 1.553633 2.763417 0.000000 5.077250 1.208948 2.910030 3.447973 4.436916 1.408811 7.729907 6.941397 8.535990 2.115688 1.543989 3.259184 0.000000 1.768293 4.327312 5.193764 3.445075 3.215198 2.254870 4.654689 4.203566 5.984601 2.380449 3.596122 1.540593 3.402378 0.000000 2.766755 3.313901 4.705450 2.351983 2.367177 1.414628 5.151285 4.407788 6.034170 2.388749 3.325848 2.415520 2.584098 1.358156 0.000000 6.691874 3.328303 1.431044 6.050468 6.680229 3.322581 9.454113 8.723771 10.595714 2.660130 1.525257 3.992992 2.625184 4.968049 4.663715 0.000000 3.431632 4.838143 5.228108 5.210178 5.678197 3.467150 6.680347 6.538055 8.261161 2.626345 3.143140 1.535894 3.850063 2.558741 3.450984 4.381146 0.000000 1.862703 6.980995 7.394911 5.268349 3.895649 4.758735 2.338300 2.327370 4.281026 4.776119 6.234128 3.739901 6.088711 2.823707 3.691334 7.426408 4.657005 0.000000 7.191219 4.775994 2.449117 7.284744 7.763638 4.416248 10.013468 9.409474 11.392044 3.313978 2.539670 4.299050 3.962509 5.591173 5.622296 1.528699 4.464324 7.819449 0.000000 2.769882 8.346959 8.940279 6.257064 4.848834 6.220468 1.475348 2.335577 3.671341 6.282867 7.704892 5.141188 7.519734 4.195667 5.042307 8.938762 5.828539 1.546842 9.294481 0.000000 2.829653 6.782088 7.206610 4.907519 3.017036 4.614367 2.342468 1.471817 3.666816 4.958639 6.409758 4.360510 6.002896 3.258577 3.584015 7.506758 5.558537 1.542765 8.101219 2.437083 0.000000 3.360813 3.674949 5.725575 1.249096 1.261021 2.556361 4.966175 4.086548 5.277495 3.838055 4.555042 3.918770 3.414447 2.627928 1.530852 5.827968 4.823261 4.198782 6.957326 5.289841 3.720249 0.000000 4.326615 9.176943 10.424470 6.342196 4.832149 7.404009 1.336230 2.159411 1.338786 7.939191 9.234921 7.037386 8.634157 5.710583 6.058678 10.543564 7.753740 3.643991 11.188862 2.657726 3.497310 5.590298 0.000000 4.329711 7.938768 9.153466 5.167023 3.252131 6.264887 2.158088 1.331469 1.341899 7.045399 8.295454 6.532281 7.494108 5.117762 5.039474 9.490654 7.546961 3.625440 10.320643 3.491029 2.642943 4.313932 2.127888 0.000000 4.649185 3.998032 2.584759 5.157784 4.917085 2.137510 7.022833 6.298043 8.338331 1.092095 2.220535 2.202140 2.837621 3.022965 3.043668 2.744249 3.432314 4.922043 3.210838 6.460469 4.957783 4.409487 8.204523 7.210682 0.000000 5.356467 2.965310 3.326619 5.043699 6.045156 2.836063 8.473269 7.959481 9.675187 2.228138 1.094126 2.894549 2.171703 3.820868 3.757927 2.155029 2.699420 6.523227 2.775599 7.909300 6.909038 4.982687 9.490572 8.749465 3.055648 0.000000 3.164738 5.337004 4.777827 5.488704 5.108341 3.215901 5.790903 5.487599 7.522234 2.167630 3.502731 1.095748 4.162392 2.181586 3.195043 4.470146 2.144070 3.488456 4.497968 4.869655 4.214854 4.655170 7.041258 6.637990 2.310817 3.713103 0.000000 7.422582 3.212427 2.079900 6.302469 7.229716 3.937780 10.253487 9.509822 11.281242 3.544860 2.128451 4.835160 2.891356 5.709656 5.275028 1.101249 5.030914 8.307551 2.155586 9.801830 8.367564 6.286986 11.282869 10.195280 3.777771 2.454651 5.431717 0.000000 3.085090 5.764619 6.268182 5.629489 5.952188 4.285847 6.252776 6.330048 7.955597 3.553533 4.224526 2.170840 4.816100 2.825627 3.954524 5.464189 1.094009 4.331829 5.464429 5.283549 5.473794 5.203865 7.297518 7.388035 4.275296 3.770456 2.477026 6.122504 0.000000 4.446577 5.254711 5.090189 6.138277 6.620722 4.058405 7.619175 7.474798 9.275638 2.924065 3.167709 2.182196 4.244875 3.510234 4.328552 4.100987 1.095053 5.490608 3.838527 6.672711 6.398412 5.764316 8.740305 8.528935 3.557142 2.617480 2.485660 4.749149 1.769840 0.000000 3.724260 4.258150 5.311178 4.704349 5.600831 3.380605 7.040861 6.856104 8.410446 2.898429 2.999861 2.190580 3.464842 2.810489 3.379181 4.355092 1.094738 5.223153 4.675242 6.357145 6.011732 4.577657 7.998416 7.727009 3.893713 2.342105 3.070949 4.794844 1.766487 1.776252 0.000000 2.455023 7.191175 7.106237 5.946621 4.642309 4.861034 3.262392 3.255564 5.274836 4.558478 6.069947 3.488738 6.178472 3.025068 4.046392 7.133126 4.435208 1.089458 7.336032 2.189191 2.189097 4.849852 4.592570 4.578919 4.547048 6.372420 2.935157 8.089784 4.125215 5.099565 5.192549 0.000000 6.710559 5.223953 2.728176 7.332266 7.519775 4.331895 9.398986 8.837836 10.897427 3.021873 2.799761 3.823141 4.233485 5.195784 5.410302 2.173804 4.153631 7.141607 1.094638 8.598382 7.471526 6.831713 10.626587 9.830249 2.693334 3.134416 3.778631 3.073105 5.062779 3.518367 4.611686 6.552847 0.000000 8.233248 5.471495 2.718605 8.174594 8.620579 5.302458 10.966238 10.312212 12.319235 4.285052 3.486591 5.344932 4.781318 6.613081 6.574018 2.168993 5.551902 8.769314 1.095275 10.257535 8.974219 7.856210 12.152878 11.206078 4.027150 3.777816 5.471505 2.505161 6.537258 4.885574 5.760118 8.247380 1.773593 0.000000 7.291913 5.053089 3.394911 7.525408 8.208591 4.849585 10.301888 9.809284 11.738004 3.725076 2.812144 4.437181 4.294632 5.794820 5.944380 2.175270 4.216902 8.103840 1.094631 9.517377 8.552908 7.301185 11.458002 10.744670 3.874086 2.602129 4.709020 2.486798 5.172652 3.443963 4.339056 7.635573 1.777945 1.768990 0.000000 3.720710 9.176906 9.438801 7.230885 5.670613 6.951214 2.102018 2.911350 4.184027 6.885763 8.369676 5.766342 8.289172 4.995409 5.874775 9.506265 6.502612 2.202066 9.752479 1.092292 2.913894 6.197283 3.151440 4.038432 6.918872 8.619590 5.309350 10.430143 5.944261 7.244066 7.147196 2.421218 8.968050 10.668455 10.017089 0.000000 2.777519 8.618641 9.413727 6.491966 5.404791 6.606769 2.109386 3.174274 4.122809 6.618399 7.948396 5.323014 7.812689 4.435333 5.392815 9.254358 5.727406 2.231739 9.561010 1.089662 3.374371 5.668721 2.951808 4.183935 6.929741 8.005078 5.124072 10.072283 5.020591 6.581536 6.201957 2.793231 8.901830 10.567931 9.662174 1.785808 0.000000 2.875387 5.800056 6.390348 4.012874 2.085722 3.720686 3.165515 2.081253 4.084238 4.291743 5.654045 3.968504 5.088384 2.778868 2.735482 6.743842 5.260021 2.234721 7.493138 3.371156 1.093486 2.782663 4.168251 2.895806 4.335823 6.228674 4.031763 7.546889 5.370552 6.113972 5.586690 2.814669 6.967694 8.351346 7.987438 3.968437 4.178953 0.000000 3.779707 7.440173 7.414873 5.820315 3.808931 5.206453 2.899451 2.095282 4.165644 5.413746 6.915759 4.927093 6.612336 4.058079 4.378590 7.856383 6.217381 2.198791 8.361262 2.903917 1.093675 4.595516 4.020077 3.138690 5.194335 7.504969 4.583599 8.779964 6.161411 6.946376 6.781813 2.425224 7.645342 9.156057 8.901510 2.981940 3.956320 1.813796 0.000000 7.883493 4.315072 0.966955 6.999304 7.261319 4.281364 10.225811 9.323943 11.242179 3.843958 3.217248 5.319022 3.807121 6.138907 5.665827 1.956389 6.051426 8.264708 2.594583 9.811337 8.051352 6.653210 11.325612 10.018159 3.405619 4.067286 5.575092 2.334967 7.093796 5.799538 6.154146 7.920832 2.972857 2.450791 3.590624 10.262341 10.305899 7.250716 8.185700 0.000000 4.902457 10.015054 11.325015 7.144919 5.810464 8.269310 2.125403 3.194322 2.163114 8.738171 10.016999 7.717958 9.469142 6.445331 6.901567 11.362854 8.284162 4.328312 11.949625 3.083845 4.441630 6.475699 1.079611 3.179771 9.047498 10.188716 7.701132 12.096581 7.710626 9.261424 8.526378 5.211789 11.375749 12.938794 12.151622 3.462245 3.060506 5.163842 4.938463 12.235997 0.000000 4.897248 7.630919 8.884996 4.916738 2.906242 6.122029 3.190604 2.117593 2.167402 7.053659 8.222938 6.774130 7.290921 5.360894 5.015815 9.340807 7.886563 4.292394 10.281455 4.428333 3.056965 4.103682 3.179170 1.078685 7.174640 8.768614 6.949697 9.997866 7.868163 8.852831 8.003806 5.184351 9.852063 11.114252 10.777413 4.959253 5.166366 2.977915 3.454803 9.717720 4.203484 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5037086 0.1230638 0.1111343</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.385791" y3="-0.924931" z3="-1.383934">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.453574" y3="2.177357" z3="-0.164681">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.627259" y3="-0.342848" z3="2.04616">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.240042" y3="2.827408" z3="-0.750501">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="1.183277" y3="1.94068" z3="0.775278">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.861838" y3="0.479982" z3="0.405613">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.448624" y3="-0.66991" z3="-0.125379">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.727732" y3="0.006929" z3="0.799547">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.440109" y3="1.260774" z3="0.22795">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.352733" y3="-0.924219" z3="0.298652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.735271" y3="-0.359292" z3="-0.150879">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.332273" y3="-1.636404" z3="-0.631523">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.089834" y3="1.035636" z3="-0.004301">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.179243" y3="-0.614717" z3="-0.6215">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.54707" y3="0.586537" z3="-0.105477">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.970001" y3="-0.658528" z3="0.693105">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.815369" y3="-1.96538" z3="-2.051864">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.351766" y3="-1.695868" z3="0.009695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.437895" y3="-2.10714" z3="0.553405">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.797421" y3="-1.945135" z3="-0.480887">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.519175" y3="-0.730664" z3="1.201538">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.209365" y3="1.91503" z3="-0.025354">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.482781" y3="0.109702" z3="-0.454368">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.337117" y3="1.175751" z3="0.987472">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.393182" y3="-1.395295" z3="1.283092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.95481" y3="-0.553882" z3="-1.204942">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-1.020623" y3="-2.572824" z3="-0.15544">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.771298" y3="0.012369" z3="0.345871">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-1.006365" y3="-2.424162" z3="-2.627961">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.65292" y3="-2.670401" z3="-2.027494">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.135579" y3="-1.066308" z3="-2.588136">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.875849" y3="-2.626654" z3="0.316386">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.651602" y3="-2.8020" z3="0.865084">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.319223" y3="-2.28591" z3="1.17865">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.712084" y3="-2.33174" z3="-0.482255">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.280822" y3="-2.756256" z3="0.068209">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.888196" y3="-2.11825" z3="-1.552873">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.712517" y3="-0.001912" z3="1.319599">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.729548" y3="-1.264756" z3="2.132459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.407677" y3="-0.504606" z3="2.593685">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.227044" y3="-0.179652" z3="-1.180939">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.953127" y3="1.930692" z3="1.655436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3858,-.9249,-1.3839;-3.4536,2.1774,-.1647;-4.6273,-.3428,2.0462;-.24,2.8274,-.7505;1.1833,1.9407,.7753;-1.8618,.48,.4056;4.4486,-.6699,-.1254;3.7277,.0069,.7995;5.4401,1.2608,.228;-2.3527,-.9242,.2987;-3.7353,-.3593,-.1509;-1.3323,-1.6364,-.6315;-3.0898,1.0356,-.0043;-.1792,-.6147,-.6215;-.5471,.5865,-.1055;-4.97,-.6585,.6931;-1.8154,-1.9654,-2.0519;2.3518,-1.6959,.0097;-5.4379,-2.1071,.5534;3.7974,-1.9451,-.4809;2.5192,-.7307,1.2015;.2094,1.915,-.0254;5.4828,.1097,-.4544;4.3371,1.1758,.9875;-2.3932,-1.3953,1.2831;-3.9548,-.5539,-1.2049;-1.0206,-2.5728,-.1554;-5.7713,.0124,.3459;-1.0064,-2.4242,-2.628;-2.6529,-2.6704,-2.0275;-2.1356,-1.0663,-2.5881;1.8758,-2.6267,.3164;-4.6516,-2.802,.8651;-6.3192,-2.2859,1.1786;-5.7121,-2.3317,-.4823;4.2808,-2.7563,.0682;3.8882,-2.1183,-1.5529;1.7125,-.0019,1.3196;2.7295,-1.2648,2.1325;-5.4077,-.5046,2.5937;6.227,-.1797,-1.1809;3.9531,1.9307,1.6554;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.876242 0.000000 6.947024 3.552011 0.000000 4.138190 3.330547 6.092579 0.000000 3.593736 4.737080 6.371183 2.267185 0.000000 3.965268 2.395817 3.319035 3.078512 3.397502 0.000000 3.321136 8.399596 9.337784 5.882653 4.276548 6.436314 0.000000 3.334762 7.563838 8.454718 5.108912 3.195972 5.623367 1.353988 0.000000 4.879853 8.949406 10.355162 5.972924 4.345395 7.345722 2.198960 2.197973 0.000000 4.099715 3.323598 2.926644 4.431580 4.575827 1.491375 6.819306 6.171709 8.093675 0.000000 5.297703 2.552279 2.371264 4.767728 5.508154 2.126926 8.189828 7.532187 9.325005 1.559690 0.000000 2.908640 4.388922 4.438492 4.597037 4.593759 2.415612 5.882947 5.509279 7.416029 1.553632 2.763410 0.000000 5.077247 1.208948 2.910031 3.447982 4.436928 1.408813 7.729936 6.941442 8.536074 2.115687 1.543987 3.259176 0.000000 1.768295 4.327309 5.193763 3.445079 3.215200 2.254874 4.654711 4.203602 5.984659 2.380448 3.596118 1.540592 3.402373 0.000000 2.766756 3.313907 4.705448 2.351984 2.367179 1.414632 5.151312 4.407828 6.034242 2.388749 3.325850 2.415520 2.584101 1.358156 0.000000 6.691872 3.328301 1.431043 6.050476 6.680229 3.322579 9.454128 8.723802 10.595776 2.660127 1.525257 3.992987 2.625184 4.968045 4.663715 0.000000 3.431631 4.838124 5.228110 5.210184 5.678197 3.467152 6.680359 6.538082 8.261209 2.626348 3.143133 1.535896 3.850048 2.558738 3.450983 4.381143 0.000000 1.862701 6.980992 7.394906 5.268339 3.895634 4.758732 2.338300 2.327373 4.281031 4.776112 6.234119 3.739898 6.088705 2.823703 3.691326 7.426398 4.657003 0.000000 7.191217 4.775991 2.449117 7.284753 7.763634 4.416246 10.013474 9.409495 11.392091 3.313975 2.539670 4.299045 3.962508 5.591168 5.622295 1.528699 4.464328 7.819437 0.000000 2.769886 8.346967 8.940275 6.257074 4.848841 6.220473 1.475348 2.335577 3.671339 6.282861 7.704885 5.141183 7.519735 4.195669 5.042310 8.938752 5.828532 1.546843 9.294465 0.000000 2.829658 6.782099 7.206616 4.907506 3.017019 4.614373 2.342471 1.471818 3.666818 4.958645 6.409762 4.360519 6.002904 3.258584 3.584015 7.506761 5.558545 1.542768 8.101218 2.437089 0.000000 3.360818 3.674962 5.725566 1.249096 1.261022 2.556360 4.966210 4.086590 5.277585 3.838054 4.555046 3.918772 3.414453 2.627932 1.530852 5.827967 4.823263 4.198773 6.957324 5.289852 3.720240 0.000000 4.326648 9.177012 10.424507 6.342265 4.832209 7.404060 1.336229 2.159412 1.338785 7.939226 9.234963 7.037416 8.634214 5.710624 6.058729 10.543601 7.753770 3.643994 11.188886 2.657724 3.497313 5.590365 0.000000 4.329752 7.938862 9.153524 5.167098 3.252207 6.264958 2.158086 1.331470 1.341899 7.045455 8.295520 6.532331 7.494188 5.117819 5.039543 9.490715 7.547009 3.625446 10.320691 3.491029 2.642944 4.314011 2.127888 0.000000 4.649184 3.998039 2.584766 5.157785 4.917080 2.137513 7.022841 6.298067 8.338374 1.092095 2.220536 2.202139 2.837628 3.022963 3.043668 2.744249 3.432317 4.922034 3.210832 6.460458 4.957786 4.409482 8.204547 7.210728 0.000000 5.356467 2.965307 3.326618 5.043723 6.045168 2.836070 8.473289 7.959518 9.675260 2.228137 1.094126 2.894541 2.171702 3.820866 3.757934 2.155028 2.699409 6.523218 2.775597 7.909293 6.909043 4.982700 9.490618 8.749535 3.055646 0.000000 3.164740 5.336999 4.777830 5.488708 5.108340 3.215905 5.790911 5.487622 7.522268 2.167629 3.502722 1.095748 4.162387 2.181586 3.195045 4.470139 2.144070 3.488456 4.497957 4.869646 4.214868 4.655172 7.041276 6.638030 2.310816 3.713090 0.000000 7.422579 3.212425 2.079901 6.302481 7.229723 3.937779 10.253506 9.509859 11.281315 3.544857 2.128450 4.835152 2.891356 5.709652 5.275030 1.101250 5.030904 8.307542 2.155585 9.801823 8.367569 6.286990 11.282914 10.195350 3.777773 2.454647 5.431708 0.000000 3.085079 5.764595 6.268185 5.629485 5.952178 4.285844 6.252778 6.330063 7.955628 3.553534 4.224518 2.170839 4.816081 2.825617 3.954515 5.464188 1.094009 4.331823 5.464436 5.283536 5.473795 5.203859 7.297534 7.388067 4.275298 3.770445 2.477028 6.122495 0.000000 4.446574 5.254700 5.090204 6.138289 6.620726 4.058414 7.619182 7.474822 9.275682 2.924076 3.167711 2.182199 4.244869 3.510232 4.328556 4.100994 1.095053 5.490604 3.838540 6.672698 6.398421 5.764322 8.740327 8.528981 3.557153 2.617472 2.485659 4.749147 1.769841 0.000000 3.724263 4.258123 5.311173 4.704359 5.600834 3.380603 7.040883 6.856139 8.410511 2.898429 2.999851 2.190581 3.464820 2.810488 3.379179 4.355086 1.094738 5.223154 4.675244 6.357147 6.011740 4.577662 7.998461 7.727069 3.893713 2.342095 3.070949 4.794830 1.766487 1.776253 0.000000 2.455017 7.191154 7.106216 5.946599 4.642282 4.861014 3.262388 3.255560 5.274833 4.558455 6.069921 3.488721 6.178448 3.025049 4.046369 7.133099 4.435199 1.089458 7.336003 2.189189 2.189096 4.849830 4.592566 4.578917 4.547021 6.372394 2.935143 8.089757 4.125209 5.099552 5.192541 0.000000 6.710558 5.223952 2.728179 7.332272 7.519767 4.331893 9.398986 8.837851 10.897463 3.021871 2.799762 3.823139 4.233485 5.195781 5.410301 2.173805 4.153642 7.141595 1.094638 8.598362 7.471524 6.831709 10.626602 9.830287 2.693326 3.134416 3.778624 3.073105 5.062793 3.518388 4.611695 6.552819 0.000000 8.233246 5.471492 2.718604 8.174600 8.620573 5.302454 10.966243 10.312232 12.319281 4.285048 3.486590 5.344928 4.781317 6.613077 6.574016 2.168992 5.551906 8.769302 1.095275 10.257518 8.974218 7.856206 12.152901 11.206125 4.027145 3.777814 5.471497 2.505160 6.537267 4.885588 5.760120 8.247352 1.773593 0.000000 7.291911 5.053085 3.394911 7.525425 8.208591 4.849585 10.301894 9.809307 11.738056 3.725073 2.812143 4.437174 4.294631 5.794816 5.944381 2.175269 4.216904 8.103828 1.094630 9.517360 8.552908 7.301189 11.458028 10.744721 3.874079 2.602128 4.709006 2.486795 5.172657 3.443972 4.339060 7.635544 1.777945 1.768989 0.000000 3.720709 9.176909 9.438789 7.230893 5.670621 6.951212 2.102016 2.911349 4.184017 6.885747 8.369659 5.766327 8.289166 4.995404 5.874774 9.506244 6.502595 2.202068 9.752448 1.092291 2.913907 6.197292 3.151429 4.038427 6.918851 8.619571 5.309330 10.430125 5.944239 7.244040 7.147188 2.421215 8.968015 10.668424 10.017055 0.000000 2.777513 8.618637 9.413717 6.491971 5.404793 6.606767 2.109385 3.174273 4.122810 6.618387 7.948382 5.323003 7.812681 4.435327 5.392811 9.254343 5.727392 2.231735 9.560990 1.089662 3.374372 5.668727 2.951810 4.183936 6.929724 8.005064 5.124057 10.072268 5.020571 6.581515 6.201953 2.793232 8.901808 10.567911 9.662152 1.785809 0.000000 2.875379 5.800068 6.390375 4.012836 2.085676 3.720700 3.165512 2.081255 4.084240 4.291764 5.654063 3.968525 5.088398 2.778876 2.735479 6.743863 5.260034 2.234720 7.493160 3.371156 1.093488 2.782630 4.168250 2.895811 4.335853 6.228690 4.031797 7.546909 5.370554 6.113992 5.586696 2.814674 6.967718 8.351369 7.987457 3.968448 4.178943 0.000000 3.779707 7.440160 7.414847 5.820286 3.808899 5.206432 2.899465 2.095283 4.165645 5.413722 6.915734 4.927079 6.612318 4.058067 4.378569 7.856354 6.217371 2.198796 8.361229 2.903936 1.093675 4.595489 4.020087 3.138686 5.194307 7.504947 4.583590 8.779939 6.161402 6.946366 6.781803 2.425220 7.645307 9.156023 8.901479 2.981971 3.956335 1.813800 0.000000 7.883485 4.315092 0.966955 6.999311 7.261316 4.281360 10.225816 9.323964 11.242230 3.843948 3.217249 5.319009 3.807134 6.138898 5.665825 1.956389 6.051419 8.264688 2.594566 9.811317 8.051346 6.653207 11.325638 10.018210 3.405607 4.067286 5.575075 2.334984 7.093788 5.799539 6.154137 7.920792 2.972832 2.450772 3.590611 10.262309 10.305875 7.250736 8.185658 0.000000 4.902487 10.015120 11.325047 7.144990 5.810523 8.269358 2.125403 3.194322 2.163114 8.738201 10.017037 7.717983 9.469194 6.445368 6.901615 11.362886 8.284186 4.328314 11.949644 3.083841 4.441633 6.475765 1.079611 3.179771 9.047516 10.188757 7.701143 12.096621 7.710637 9.261439 8.526420 5.211785 11.375757 12.938810 12.151643 3.462231 3.060507 5.163839 4.938475 12.236018 0.000000 4.897302 7.631047 8.885081 4.916838 2.906345 6.122127 3.190604 2.117597 2.167400 7.053740 8.223032 6.774202 7.291032 5.360972 5.015909 9.340896 7.886634 4.292407 10.281530 4.428336 3.056969 4.103785 3.179170 1.078685 7.174711 8.768713 6.949756 9.997967 7.868215 8.852902 8.003890 5.184356 9.852126 11.114325 10.777493 4.959250 5.166371 2.977931 3.454792 9.717800 4.203484 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5037089 0.1230628 0.1111337</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.385796" y3="-0.92492" z3="-1.383934">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.4536" y3="2.17735" z3="-0.164711">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.627238" y3="-0.342848" z3="2.046167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.240084" y3="2.827432" z3="-0.75049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="1.183284" y3="1.940693" z3="0.775236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.86185" y3="0.479989" z3="0.405588">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.448626" y3="-0.669926" z3="-0.125364">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.727742" y3="0.006924" z3="0.799559">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.440131" y3="1.260749" z3="0.227955">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.352734" y3="-0.924215" z3="0.298634">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.735281" y3="-0.3593" z3="-0.150885">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.332276" y3="-1.636392" z3="-0.63155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.089851" y3="1.035633" z3="-0.004324">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.179246" y3="-0.614705" z3="-0.621515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.547078" y3="0.586549" z3="-0.105495">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.969996" y3="-0.658542" z3="0.693119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.81537" y3="-1.965347" z3="-2.051897">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.351756" y3="-1.695857" z3="0.009706">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.43788" y3="-2.10716" z3="0.553436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.797411" y3="-1.945147" z3="-0.480864">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.519171" y3="-0.73065" z3="1.201546">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.209348" y3="1.915046" z3="-0.025368">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.482791" y3="0.109673" z3="-0.454356">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.337141" y3="1.17574" z3="0.98748">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.39317" y3="-1.395291" z3="1.283075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.954834" y3="-0.553899" z3="-1.204943">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-1.020628" y3="-2.572818" z3="-0.155478">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.771304" y3="0.012345" z3="0.345891">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-1.006361" y3="-2.424112" z3="-2.628001">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.652915" y3="-2.670377" z3="-2.027539">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.135587" y3="-1.06627" z3="-2.588153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.875826" y3="-2.626636" z3="0.316399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.651576" y3="-2.80201" z3="0.865111">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.319198" y3="-2.285931" z3="1.178693">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.712079" y3="-2.331769" z3="-0.482219">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.280796" y3="-2.756267" z3="0.068247">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.888193" y3="-2.118275" z3="-1.552847">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.712521" y3="-0.001887" z3="1.319598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.729531" y3="-1.264742" z3="2.13247">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.407641" y3="-0.504627" z3="2.593707">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.227051" y3="-0.179692" z3="-1.180926">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.953161" y3="1.930688" z3="1.655443">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3858,-.9249,-1.3839;-3.4536,2.1774,-.1647;-4.6272,-.3428,2.0462;-.2401,2.8274,-.7505;1.1833,1.9407,.7752;-1.8619,.48,.4056;4.4486,-.6699,-.1254;3.7277,.0069,.7996;5.4401,1.2607,.228;-2.3527,-.9242,.2986;-3.7353,-.3593,-.1509;-1.3323,-1.6364,-.6315;-3.0899,1.0356,-.0043;-.1792,-.6147,-.6215;-.5471,.5865,-.1055;-4.97,-.6585,.6931;-1.8154,-1.9653,-2.0519;2.3518,-1.6959,.0097;-5.4379,-2.1072,.5534;3.7974,-1.9451,-.4809;2.5192,-.7307,1.2015;.2093,1.915,-.0254;5.4828,.1097,-.4544;4.3371,1.1757,.9875;-2.3932,-1.3953,1.2831;-3.9548,-.5539,-1.2049;-1.0206,-2.5728,-.1555;-5.7713,.0123,.3459;-1.0064,-2.4241,-2.628;-2.6529,-2.6704,-2.0275;-2.1356,-1.0663,-2.5882;1.8758,-2.6266,.3164;-4.6516,-2.802,.8651;-6.3192,-2.2859,1.1787;-5.7121,-2.3318,-.4822;4.2808,-2.7563,.0682;3.8882,-2.1183,-1.5528;1.7125,-.0019,1.3196;2.7295,-1.2647,2.1325;-5.4076,-.5046,2.5937;6.2271,-.1797,-1.1809;3.9532,1.9307,1.6554;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.876252 0.000000 6.947012 3.552014 0.000000 4.138222 3.330530 6.092543 0.000000 3.593712 4.737109 6.371185 2.267184 0.000000 3.965270 2.395818 3.319025 3.078495 3.397520 0.000000 3.321136 8.399626 9.337764 5.882713 4.276549 6.436329 0.000000 3.334769 7.563877 8.454706 5.108969 3.195985 5.623393 1.353988 0.000000 4.879853 8.949458 10.355160 5.972998 4.345410 7.345752 2.198959 2.197973 0.000000 4.099713 3.323597 2.926640 4.431570 4.575836 1.491374 6.819307 6.171721 8.093690 0.000000 5.297714 2.552279 2.371264 4.767724 5.508172 2.126925 8.189840 7.532209 9.325034 1.559689 0.000000 2.908641 4.388915 4.438490 4.597038 4.593760 2.415609 5.882951 5.509296 7.416042 1.553632 2.763409 0.000000 5.077254 1.208948 2.910031 3.447967 4.436950 1.408812 7.729956 6.941472 8.536113 2.115686 1.543989 3.259171 0.000000 1.768296 4.327313 5.193753 3.445090 3.215192 2.254873 4.654720 4.203621 5.984674 2.380446 3.596125 1.540592 3.402376 0.000000 2.766757 3.313914 4.705437 2.351982 2.367181 1.414633 5.151328 4.407853 6.034269 2.388750 3.325858 2.415520 2.584106 1.358156 0.000000 6.691876 3.328304 1.431043 6.050461 6.680241 3.322574 9.454125 8.723807 10.595791 2.660124 1.525257 3.992986 2.625186 4.968045 4.663715 0.000000 3.431637 4.838100 5.228119 5.210175 5.678183 3.467140 6.680367 6.538100 8.261218 2.626350 3.143134 1.535897 3.850032 2.558736 3.450974 4.381155 0.000000 1.862700 6.980996 7.394874 5.268366 3.895620 4.758729 2.338299 2.327374 4.281029 4.776101 6.234115 3.739898 6.088704 2.823703 3.691325 7.426380 4.657013 0.000000 7.191220 4.775994 2.449118 7.284744 7.763641 4.416241 10.013461 9.409492 11.392097 3.313971 2.539670 4.299045 3.962510 5.591168 5.622295 1.528699 4.464353 7.819414 0.000000 2.769888 8.346981 8.940243 6.257122 4.848835 6.220475 1.475347 2.335576 3.671337 6.282850 7.704884 5.141180 7.519741 4.195671 5.042318 8.938736 5.828539 1.546843 9.294440 0.000000 2.829662 6.782118 7.206590 4.907534 3.017020 4.614385 2.342472 1.471819 3.666818 4.958647 6.409769 4.360534 6.002916 3.258596 3.584028 7.506752 5.558563 1.542769 8.101203 2.437089 0.000000 3.360824 3.674971 5.725549 1.249096 1.261022 2.556360 4.966242 4.086628 5.277629 3.838053 4.555053 3.918772 3.414458 2.627934 1.530851 5.827966 4.823252 4.198781 6.957323 5.289873 3.720257 0.000000 4.326645 9.177051 10.424493 6.342335 4.832214 7.404079 1.336228 2.159411 1.338785 7.939230 9.234981 7.037420 8.634240 5.710632 6.058748 10.543604 7.753773 3.643991 11.188880 2.657723 3.497313 5.590402 0.000000 4.329758 7.938917 9.153524 5.167167 3.252232 6.264995 2.158086 1.331470 1.341899 7.045477 8.295554 6.532353 7.494231 5.117842 5.039576 9.490734 7.547028 3.625447 10.320700 3.491028 2.642946 4.314059 2.127887 0.000000 4.649168 3.998044 2.584764 5.157766 4.917084 2.137512 7.022822 6.298059 8.338371 1.092095 2.220536 2.202138 2.837631 3.022952 3.043661 2.744245 3.432325 4.922004 3.210824 6.460426 4.957770 4.409474 8.204531 7.210732 0.000000 5.356494 2.965305 3.326618 5.043737 6.045193 2.836073 8.473317 7.959555 9.675304 2.228139 1.094126 2.894543 2.171703 3.820883 3.757953 2.155028 2.699412 6.523229 2.775598 7.909308 6.909064 4.982720 9.490651 8.749583 3.055646 0.000000 3.164735 5.336997 4.777828 5.488715 5.108350 3.215910 5.790911 5.487639 7.522278 2.167629 3.502716 1.095748 4.162385 2.181587 3.195051 4.470132 2.144071 3.488455 4.497945 4.869635 4.214887 4.655180 7.041274 6.638051 2.310817 3.713082 0.000000 7.422590 3.212431 2.079901 6.302473 7.229742 3.937777 10.253514 9.509875 11.281343 3.544855 2.128449 4.835152 2.891360 5.709657 5.275036 1.101250 5.030911 8.307532 2.155585 9.801816 8.367567 6.286996 11.282930 10.195381 3.777770 2.454645 5.431700 0.000000 3.085077 5.764567 6.268193 5.629471 5.952150 4.285828 6.252779 6.330074 7.955623 3.553534 4.224518 2.170839 4.816061 2.825608 3.954499 5.464199 1.094009 4.331836 5.464463 5.283543 5.473812 5.203840 7.297526 7.388075 4.275303 3.770448 2.477031 6.122503 0.000000 4.446575 5.254681 5.090228 6.138282 6.620720 4.058410 7.619183 7.474838 9.275688 2.924085 3.167716 2.182200 4.244858 3.510232 4.328553 4.101015 1.095052 5.490609 3.838578 6.672695 6.398438 5.764316 8.740325 8.528999 3.557172 2.617468 2.485657 4.749160 1.769841 0.000000 3.724281 4.258086 5.311175 4.704344 5.600814 3.380582 7.040901 6.856163 8.410528 2.898426 2.999851 2.190581 3.464793 2.810489 3.379166 4.355096 1.094738 5.223169 4.675273 6.357166 6.011758 4.577645 7.998475 7.727093 3.893714 2.342104 3.070950 4.794837 1.766487 1.776253 0.000000 2.455015 7.191142 7.106168 5.946611 4.642267 4.860998 3.262387 3.255560 5.274831 4.558429 6.069900 3.488712 6.178432 3.025041 4.046358 7.133063 4.435207 1.089458 7.335962 2.189188 2.189095 4.849828 4.592563 4.578917 4.546977 6.372387 2.935134 8.089728 4.125229 5.099555 5.192553 0.000000 6.710554 5.223955 2.728180 7.332261 7.519768 4.331888 9.398963 8.837838 10.897455 3.021868 2.799763 3.823141 4.233487 5.195777 5.410297 2.173806 4.153673 7.141565 1.094638 8.598328 7.471502 6.831703 10.626584 9.830285 2.693316 3.134419 3.778613 3.073105 5.062828 3.518437 4.611727 6.552772 0.000000 8.233247 5.471495 2.718605 8.174586 8.620579 5.302448 10.966225 10.312223 12.319280 4.285045 3.486590 5.344929 4.781318 6.613075 6.574014 2.168992 5.551932 8.769274 1.095275 10.257487 8.974196 7.856201 12.152889 11.206127 4.027138 3.777814 5.471486 2.505159 6.537296 4.885628 5.760148 8.247306 1.773594 0.000000 7.291923 5.053087 3.394911 7.525427 8.208603 4.849582 10.301893 9.809314 11.738071 3.725068 2.812142 4.437174 4.294632 5.794821 5.944387 2.175269 4.216929 8.103814 1.094630 9.517346 8.552901 7.301195 11.458033 10.744740 3.874069 2.602127 4.708989 2.486794 5.172686 3.444003 4.339094 7.635512 1.777945 1.768989 0.000000 3.720710 9.176913 9.438741 7.230933 5.670613 6.951205 2.102015 2.911342 4.184014 6.885726 8.369645 5.766318 8.289162 4.995401 5.874774 9.506212 6.502600 2.202066 9.752405 1.092291 2.913900 6.197307 3.151430 4.038421 6.918806 8.619573 5.309313 10.430102 5.944250 7.244035 7.147204 2.421211 8.967963 10.668373 10.017023 0.000000 2.777520 8.618657 9.413692 6.492031 5.404787 6.606772 2.109385 3.174276 4.122811 6.618379 7.948386 5.322997 7.812692 4.435331 5.392822 9.254334 5.727397 2.231736 9.560972 1.089661 3.374375 5.668754 2.951808 4.183939 6.929695 8.005085 5.124039 10.072271 5.020573 6.581507 6.201976 2.793230 8.901779 10.567888 9.662145 1.785809 0.000000 2.875383 5.800091 6.390360 4.012852 2.085675 3.720719 3.165512 2.081258 4.084239 4.291778 5.654079 3.968548 5.088417 2.778894 2.735495 6.743864 5.260055 2.234720 7.493157 3.371156 1.093489 2.782642 4.168248 2.895814 4.335851 6.228719 4.031829 7.546916 5.370571 6.114016 5.586714 2.814673 6.967710 8.351361 7.987464 3.968442 4.178946 0.000000 3.779709 7.440171 7.414808 5.820306 3.808908 5.206438 2.899467 2.095283 4.165649 5.413718 6.915731 4.927089 6.612323 4.058074 4.378577 7.856330 6.217388 2.198796 8.361197 2.903934 1.093675 4.595502 4.020090 3.138688 5.194283 7.504956 4.583608 8.779921 6.161421 6.946381 6.781818 2.425217 7.645269 9.155983 8.901456 2.981960 3.956334 1.813801 0.000000 7.883468 4.315106 0.966955 6.999280 7.261317 4.281351 10.225785 9.323941 11.242220 3.843939 3.217249 5.319001 3.807140 6.138883 5.665813 1.956389 6.051425 8.264644 2.594558 9.811272 8.051308 6.653191 11.325615 10.018202 3.405595 4.067286 5.575062 2.334992 7.093794 5.799561 6.154141 7.920729 2.972818 2.450764 3.590605 10.262244 10.305838 7.250711 8.185602 0.000000 4.902481 10.015156 11.325031 7.145062 5.810524 8.269373 2.125402 3.194322 2.163113 8.738200 10.017051 7.717980 9.469217 6.445372 6.901630 11.362887 8.284183 4.328311 11.949634 3.083840 4.441633 6.475800 1.079611 3.179771 9.047496 10.188787 7.701133 12.096635 7.710622 9.261428 8.526431 5.211782 11.375735 12.938795 12.151644 3.462236 3.060504 5.163838 4.938479 12.235992 0.000000 4.897312 7.631115 8.885093 4.916907 2.906386 6.122175 3.190604 2.117597 2.167400 7.053773 8.223078 6.774234 7.291088 5.361003 5.015950 9.340926 7.886661 4.292409 10.281550 4.428336 3.056971 4.103840 3.179169 1.078685 7.174727 8.768772 6.949790 9.998009 7.868229 8.852931 8.003919 5.184357 9.852135 11.114339 10.777523 4.959242 5.166376 2.977936 3.454793 9.717804 4.203483 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5037067 0.1230625 0.1111335</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.38579" y3="-0.924907" z3="-1.383954">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.453625" y3="2.177336" z3="-0.16477">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.627222" y3="-0.342826" z3="2.046168">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.240082" y3="2.827442" z3="-0.750513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="1.183267" y3="1.9407" z3="0.775229">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.861864" y3="0.479996" z3="0.405563">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.448628" y3="-0.669926" z3="-0.125358">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.727747" y3="0.006921" z3="0.799571">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.440177" y3="1.260716" z3="0.228019">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.352737" y3="-0.924213" z3="0.298621">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.735291" y3="-0.359314" z3="-0.150894">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.332281" y3="-1.636385" z3="-0.631568">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.089867" y3="1.035626" z3="-0.004359">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.179254" y3="-0.614695" z3="-0.621537">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.547089" y3="0.586559" z3="-0.105519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.969993" y3="-0.658548" z3="0.693131">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.815378" y3="-1.965339" z3="-2.051915">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.351747" y3="-1.69584" z3="0.009687">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.437869" y3="-2.107172" z3="0.553481">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.797403" y3="-1.945135" z3="-0.480877">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.519156" y3="-0.730636" z3="1.201532">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.209338" y3="1.915055" z3="-0.025384">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.482817" y3="0.109654" z3="-0.454317">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.337174" y3="1.175717" z3="0.987527">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.393159" y3="-1.395285" z3="1.283064">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.954856" y3="-0.553931" z3="-1.204946">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-1.020628" y3="-2.572812" z3="-0.1555">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.771311" y3="0.012327" z3="0.345899">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-1.006366" y3="-2.424094" z3="-2.628023">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.652916" y3="-2.670376" z3="-2.027557">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.135604" y3="-1.066261" z3="-2.588166">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.875815" y3="-2.626619" z3="0.316379">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.651558" y3="-2.802012" z3="0.865159">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.31918" y3="-2.285937" z3="1.178751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.712079" y3="-2.331802" z3="-0.482167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.280778" y3="-2.756266" z3="0.068228">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.88819" y3="-2.118251" z3="-1.552861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.712513" y3="-0.00186" z3="1.319566">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.729489" y3="-1.264731" z3="2.13246">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.407611" y3="-0.504622" z3="2.593724">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.22708" y3="-0.179712" z3="-1.180883">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.953209" y3="1.930658" z3="1.655507">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3858,-.9249,-1.384;-3.4536,2.1773,-.1648;-4.6272,-.3428,2.0462;-.2401,2.8274,-.7505;1.1833,1.9407,.7752;-1.8619,.48,.4056;4.4486,-.6699,-.1254;3.7277,.0069,.7996;5.4402,1.2607,.228;-2.3527,-.9242,.2986;-3.7353,-.3593,-.1509;-1.3323,-1.6364,-.6316;-3.0899,1.0356,-.0044;-.1793,-.6147,-.6215;-.5471,.5866,-.1055;-4.97,-.6585,.6931;-1.8154,-1.9653,-2.0519;2.3517,-1.6958,.0097;-5.4379,-2.1072,.5535;3.7974,-1.9451,-.4809;2.5192,-.7306,1.2015;.2093,1.9151,-.0254;5.4828,.1097,-.4543;4.3372,1.1757,.9875;-2.3932,-1.3953,1.2831;-3.9549,-.5539,-1.2049;-1.0206,-2.5728,-.1555;-5.7713,.0123,.3459;-1.0064,-2.4241,-2.628;-2.6529,-2.6704,-2.0276;-2.1356,-1.0663,-2.5882;1.8758,-2.6266,.3164;-4.6516,-2.802,.8652;-6.3192,-2.2859,1.1788;-5.7121,-2.3318,-.4822;4.2808,-2.7563,.0682;3.8882,-2.1183,-1.5529;1.7125,-.0019,1.3196;2.7295,-1.2647,2.1325;-5.4076,-.5046,2.5937;6.2271,-.1797,-1.1809;3.9532,1.9307,1.6555;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.876246 0.000000 6.947004 3.552013 0.000000 4.138215 3.330555 6.092538 0.000000 3.593715 4.737126 6.371150 2.267184 0.000000 3.965271 2.395819 3.319010 3.078504 3.397517 0.000000 3.321153 8.399647 9.337750 5.882720 4.276565 6.436342 0.000000 3.334793 7.563912 8.454693 5.108989 3.196009 5.623415 1.353988 0.000000 4.879903 8.949536 10.355169 5.973064 4.345469 7.345804 2.198959 2.197974 0.000000 4.099713 3.323597 2.926638 4.431581 4.575828 1.491374 6.819310 6.171730 8.093726 0.000000 5.297716 2.552278 2.371264 4.767750 5.508173 2.126926 8.189851 7.532227 9.325088 1.559689 0.000000 2.908642 4.388904 4.438491 4.597042 4.593756 2.415609 5.882958 5.509310 7.416082 1.553632 2.763406 0.000000 5.077251 1.208948 2.910026 3.447989 4.436957 1.408813 7.729971 6.941499 8.536177 2.115686 1.543989 3.259163 0.000000 1.768297 4.327307 5.193744 3.445089 3.215192 2.254874 4.654733 4.203642 5.984723 2.380445 3.596126 1.540592 3.402372 0.000000 2.766757 3.313916 4.705423 2.351983 2.367180 1.414635 5.151343 4.407878 6.034325 2.388750 3.325863 2.415520 2.584109 1.358156 0.000000 6.691876 3.328303 1.431043 6.050479 6.680227 3.322566 9.454125 8.723810 10.595827 2.660121 1.525257 3.992987 2.625184 4.968043 4.663713 0.000000 3.431639 4.838071 5.228126 5.210178 5.678182 3.467134 6.680381 6.538120 8.261271 2.626351 3.143129 1.535897 3.850012 2.558735 3.450971 4.381161 0.000000 1.862699 6.980994 7.394857 5.268355 3.895616 4.758728 2.338300 2.327378 4.281039 4.776093 6.234109 3.739893 6.088700 2.823700 3.691323 7.426368 4.657012 0.000000 7.191226 4.775994 2.449118 7.284765 7.763625 4.416235 10.013457 9.409488 11.392123 3.313968 2.539670 4.299050 3.962509 5.591170 5.622295 1.528699 4.464375 7.819400 0.000000 2.769891 8.346982 8.940227 6.257114 4.848837 6.220477 1.475346 2.335576 3.671337 6.282844 7.704881 5.141176 7.519740 4.195671 5.042319 8.938727 5.828540 1.546843 9.294429 0.000000 2.829664 6.782124 7.206561 4.907524 3.017013 4.614383 2.342474 1.471820 3.666820 4.958635 6.409761 4.360528 6.002916 3.258595 3.584026 7.506732 5.558561 1.542770 8.101178 2.437093 0.000000 3.360824 3.674986 5.725528 1.249096 1.261022 2.556362 4.966256 4.086653 5.277693 3.838053 4.555063 3.918772 3.414468 2.627934 1.530851 5.827964 4.823252 4.198775 6.957323 5.289873 3.720251 0.000000 4.326681 9.177099 10.424493 6.342372 4.832251 7.404112 1.336228 2.159412 1.338785 7.939251 9.235015 7.037445 8.634281 5.710665 6.058784 10.543624 7.753810 3.643996 11.188894 2.657721 3.497314 5.590442 0.000000 4.329805 7.938991 9.153529 5.167228 3.252292 6.265044 2.158085 1.331470 1.341898 7.045510 8.295602 6.532389 7.494292 5.117889 5.039631 9.490762 7.547075 3.625456 10.320718 3.491028 2.642947 4.314121 2.127887 0.000000 4.649161 3.998054 2.584770 5.157771 4.917063 2.137514 7.022810 6.298051 8.338382 1.092095 2.220537 2.202137 2.837638 3.022946 3.043657 2.744244 3.432328 4.921987 3.210815 6.460409 4.957747 4.409465 8.204532 7.210741 0.000000 5.356507 2.965303 3.326617 5.043782 6.045211 2.836082 8.473341 7.959587 9.675380 2.228140 1.094126 2.894541 2.171705 3.820894 3.757970 2.155027 2.699407 6.523230 2.775599 7.909314 6.909066 4.982747 9.490704 8.749651 3.055645 0.000000 3.164734 5.336991 4.777834 5.488718 5.108345 3.215914 5.790910 5.487645 7.522301 2.167630 3.502711 1.095748 4.162381 2.181587 3.195053 4.470130 2.144071 3.488449 4.497943 4.869628 4.214881 4.655179 7.041286 6.638073 2.310817 3.713073 0.000000 7.422593 3.212431 2.079901 6.302498 7.229737 3.937772 10.253521 9.509887 11.281393 3.544854 2.128450 4.835150 2.891360 5.709657 5.275037 1.101250 5.030912 8.307523 2.155585 9.801811 8.367553 6.287001 11.282961 10.195422 3.777771 2.454644 5.431697 0.000000 3.085074 5.764534 6.268200 5.629464 5.952146 4.285820 6.252791 6.330092 7.955672 3.553534 4.224513 2.170838 4.816040 2.825602 3.954490 5.464206 1.094009 4.331834 5.464487 5.283545 5.473810 5.203833 7.297559 7.388116 4.275306 3.770444 2.477033 6.122504 0.000000 4.446575 5.254658 5.090247 6.138290 6.620719 4.058409 7.619192 7.474853 9.275735 2.924089 3.167713 2.182201 4.244844 3.510231 4.328552 4.101030 1.095052 5.490604 3.838610 6.672692 6.398432 5.764319 8.740354 8.529040 3.557182 2.617456 2.485655 4.749166 1.769841 0.000000 3.724289 4.258046 5.311174 4.704349 5.600816 3.380571 7.040925 6.856192 8.410599 2.898425 2.999844 2.190582 3.464766 2.810489 3.379162 4.355100 1.094738 5.223172 4.675296 6.357175 6.011760 4.577647 7.998527 7.727154 3.893715 2.342105 3.070950 4.794836 1.766487 1.776253 0.000000 2.455012 7.191135 7.106151 5.946600 4.642259 4.860993 3.262383 3.255558 5.274832 4.558416 6.069887 3.488703 6.178423 3.025034 4.046353 7.133046 4.435202 1.089458 7.335941 2.189186 2.189095 4.849820 4.592561 4.578917 4.546956 6.372377 2.935123 8.089712 4.125226 5.099545 5.192551 0.000000 6.710559 5.223955 2.728181 7.332275 7.519745 4.331882 9.398952 8.837825 10.897468 3.021865 2.799764 3.823150 4.233486 5.195779 5.410295 2.173806 4.153704 7.141549 1.094638 8.598314 7.471471 6.831698 10.626588 9.830290 2.693304 3.134421 3.778615 3.073106 5.062861 3.518481 4.611757 6.552749 0.000000 8.233251 5.471495 2.718605 8.174603 8.620556 5.302440 10.966215 10.312212 12.319298 4.285042 3.486590 5.344935 4.781316 6.613076 6.574011 2.168992 5.551956 8.769258 1.095275 10.257473 8.974166 7.856196 12.152896 11.206136 4.027130 3.777814 5.471487 2.505158 6.537323 4.885662 5.760171 8.247284 1.773594 0.000000 7.291935 5.053086 3.394911 7.525461 8.208599 4.849580 10.301898 9.809322 11.738115 3.725066 2.812142 4.437179 4.294632 5.794828 5.944394 2.175269 4.216952 8.103805 1.094630 9.517340 8.552883 7.301207 11.458062 10.744774 3.874059 2.602127 4.708982 2.486793 5.172712 3.444030 4.339124 7.635492 1.777945 1.768989 0.000000 3.720708 9.176912 9.438718 7.230927 5.670618 6.951204 2.102014 2.911341 4.184003 6.885711 8.369632 5.766305 8.289157 4.995396 5.874773 9.506192 6.502591 2.202065 9.752379 1.092291 2.913909 6.197308 3.151419 4.038413 6.918781 8.619566 5.309295 10.430086 5.944241 7.244018 7.147203 2.421205 8.967933 10.668345 10.017000 0.000000 2.777518 8.618650 9.413681 6.492016 5.404785 6.606772 2.109384 3.174277 4.122817 6.618375 7.948385 5.322997 7.812687 4.435330 5.392819 9.254330 5.727401 2.231736 9.560972 1.089661 3.374376 5.668748 2.951812 4.183944 6.929683 8.005093 5.124035 10.072269 5.020577 6.581508 6.201987 2.793232 8.901777 10.567886 9.662151 1.785810 0.000000 2.875376 5.800098 6.390340 4.012830 2.085652 3.720720 3.165508 2.081259 4.084244 4.291774 5.654077 3.968547 5.088420 2.778890 2.735490 6.743853 5.260053 2.234720 7.493143 3.371154 1.093490 2.782623 4.168248 2.895822 4.335841 6.228725 4.031832 7.546910 5.370567 6.114015 5.586710 2.814678 6.967692 8.351343 7.987455 3.968449 4.178938 0.000000 3.779706 7.440161 7.414752 5.820289 3.808893 5.206416 2.899478 2.095283 4.165646 5.413681 6.915696 4.927063 6.612303 4.058057 4.378560 7.856281 6.217368 2.198798 8.361138 2.903949 1.093675 4.595486 4.020095 3.138680 5.194232 7.504931 4.583580 8.779879 6.161407 6.946356 6.781802 2.425211 7.645203 9.155918 8.901403 2.981984 3.956346 1.813802 0.000000 7.883455 4.315119 0.966955 6.999281 7.261280 4.281337 10.225761 9.323917 11.242218 3.843931 3.217250 5.318995 3.807143 6.138871 5.665798 1.956389 6.051429 8.264616 2.594547 9.811245 8.051268 6.653171 11.325604 10.018196 3.405588 4.067287 5.575057 2.335001 7.093798 5.799576 6.154141 7.920699 2.972802 2.450753 3.590598 10.262208 10.305818 7.250684 8.185531 0.000000 4.902514 10.015200 11.325032 7.145095 5.810558 8.269404 2.125403 3.194323 2.163113 8.738220 10.017084 7.718004 9.469254 6.445402 6.901663 11.362908 8.284220 4.328315 11.949652 3.083838 4.441635 6.475836 1.079611 3.179770 9.047496 10.188840 7.701144 12.096666 7.710656 9.261457 8.526483 5.211780 11.375742 12.938806 12.151676 3.462225 3.060508 5.163836 4.938487 12.235983 0.000000 4.897368 7.631216 8.885108 4.916996 2.906471 6.122243 3.190604 2.117599 2.167398 7.053821 8.223143 6.774283 7.291170 5.361064 5.016024 9.340969 7.886721 4.292423 10.281580 4.428338 3.056973 4.103926 3.179169 1.078685 7.174748 8.768858 6.949823 9.998068 7.868283 8.852986 8.003995 5.184361 9.852148 11.114357 10.777570 4.959235 5.166384 2.977952 3.454777 9.717808 4.203482 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5037049 0.1230619 0.1111333</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.385794" y3="-0.924919" z3="-1.383935">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.453602" y3="2.177352" z3="-0.16471">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.627242" y3="-0.342843" z3="2.046164">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.240086" y3="2.827432" z3="-0.750494">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="1.183281" y3="1.940698" z3="0.775236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.861852" y3="0.47999" z3="0.40559">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.448627" y3="-0.669928" z3="-0.125366">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.727747" y3="0.006924" z3="0.799561">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.440142" y3="1.260742" z3="0.227955">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.352737" y3="-0.924213" z3="0.298634">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.735283" y3="-0.359299" z3="-0.150886">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.332279" y3="-1.636389" z3="-0.63155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.089852" y3="1.035635" z3="-0.004323">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.179249" y3="-0.614703" z3="-0.621518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.547079" y3="0.586551" z3="-0.105495">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.969997" y3="-0.658541" z3="0.693117">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.815372" y3="-1.965347" z3="-2.051898">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.351753" y3="-1.695851" z3="0.009706">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.437876" y3="-2.107161" z3="0.553437">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.797408" y3="-1.945146" z3="-0.480862">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.519171" y3="-0.730644" z3="1.201546">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.209346" y3="1.915048" z3="-0.025369">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.482794" y3="0.109666" z3="-0.454358">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.337152" y3="1.175737" z3="0.987482">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.393173" y3="-1.395291" z3="1.283074">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.954835" y3="-0.553895" z3="-1.204945">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-1.02063" y3="-2.572815" z3="-0.155479">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.771308" y3="0.012342" z3="0.345886">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-1.00636" y3="-2.424106" z3="-2.628002">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.652912" y3="-2.670381" z3="-2.02754">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.135595" y3="-1.06627" z3="-2.588153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.875821" y3="-2.626628" z3="0.316402">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.651572" y3="-2.802009" z3="0.865115">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.319197" y3="-2.285934" z3="1.178691">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.712072" y3="-2.331773" z3="-0.482218">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.280788" y3="-2.756265" z3="0.068255">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.888193" y3="-2.118281" z3="-1.552843">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.712524" y3="-0.001875" z3="1.319594">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.729525" y3="-1.264736" z3="2.132471">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.407634" y3="-0.504659" z3="2.59371">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.227052" y3="-0.179699" z3="-1.180931">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.953179" y3="1.930685" z3="1.655448">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3858,-.9249,-1.3839;-3.4536,2.1774,-.1647;-4.6272,-.3428,2.0462;-.2401,2.8274,-.7505;1.1833,1.9407,.7752;-1.8619,.48,.4056;4.4486,-.6699,-.1254;3.7277,.0069,.7996;5.4401,1.2607,.228;-2.3527,-.9242,.2986;-3.7353,-.3593,-.1509;-1.3323,-1.6364,-.6315;-3.0899,1.0356,-.0043;-.1792,-.6147,-.6215;-.5471,.5866,-.1055;-4.97,-.6585,.6931;-1.8154,-1.9653,-2.0519;2.3518,-1.6959,.0097;-5.4379,-2.1072,.5534;3.7974,-1.9451,-.4809;2.5192,-.7306,1.2015;.2093,1.915,-.0254;5.4828,.1097,-.4544;4.3372,1.1757,.9875;-2.3932,-1.3953,1.2831;-3.9548,-.5539,-1.2049;-1.0206,-2.5728,-.1555;-5.7713,.0123,.3459;-1.0064,-2.4241,-2.628;-2.6529,-2.6704,-2.0275;-2.1356,-1.0663,-2.5882;1.8758,-2.6266,.3164;-4.6516,-2.802,.8651;-6.3192,-2.2859,1.1787;-5.7121,-2.3318,-.4822;4.2808,-2.7563,.0683;3.8882,-2.1183,-1.5528;1.7125,-.0019,1.3196;2.7295,-1.2647,2.1325;-5.4076,-.5047,2.5937;6.2271,-.1797,-1.1809;3.9532,1.9307,1.6554;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.876252 0.000000 6.947014 3.552010 0.000000 4.138221 3.330530 6.092543 0.000000 3.593716 4.737108 6.371185 2.267184 0.000000 3.965271 2.395818 3.319024 3.078496 3.397520 0.000000 3.321139 8.399629 9.337769 5.882715 4.276556 6.436332 0.000000 3.334777 7.563885 8.454715 5.108977 3.195995 5.623400 1.353988 0.000000 4.879861 8.949471 10.355172 5.973012 4.345425 7.345764 2.198959 2.197974 0.000000 4.099714 3.323597 2.926641 4.431569 4.575838 1.491374 6.819310 6.171729 8.093700 0.000000 5.297713 2.552279 2.371264 4.767723 5.508172 2.126926 8.189842 7.532217 9.325045 1.559689 0.000000 2.908641 4.388915 4.438491 4.597036 4.593762 2.415610 5.882954 5.509304 7.416051 1.553632 2.763408 0.000000 5.077253 1.208948 2.910029 3.447966 4.436949 1.408812 7.729958 6.941479 8.536124 2.115686 1.543989 3.259170 0.000000 1.768297 4.327312 5.193754 3.445088 3.215196 2.254874 4.654723 4.203630 5.984685 2.380446 3.596123 1.540592 3.402374 0.000000 2.766758 3.313914 4.705437 2.351981 2.367182 1.414635 5.151331 4.407861 6.034280 2.388750 3.325858 2.415520 2.584106 1.358156 0.000000 6.691874 3.328305 1.431043 6.050461 6.680241 3.322573 9.454127 8.723814 10.595802 2.660122 1.525257 3.992984 2.625187 4.968043 4.663715 0.000000 3.431636 4.838101 5.228121 5.210174 5.678186 3.467143 6.680368 6.538107 8.261227 2.626351 3.143134 1.535897 3.850033 2.558735 3.450976 4.381154 0.000000 1.862699 6.980993 7.394874 5.268361 3.895620 4.758727 2.338299 2.327375 4.281030 4.776100 6.234113 3.739898 6.088701 2.823703 3.691322 7.426378 4.657013 0.000000 7.191216 4.775995 2.449119 7.284742 7.763639 4.416238 10.013459 9.409495 11.392102 3.313967 2.539669 4.299041 3.962510 5.591164 5.622293 1.528699 4.464350 7.819408 0.000000 2.769890 8.346980 8.940244 6.257121 4.848837 6.220475 1.475346 2.335575 3.671337 6.282849 7.704883 5.141179 7.519740 4.195672 5.042317 8.938734 5.828539 1.546843 9.294434 0.000000 2.829664 6.782117 7.206594 4.907531 3.017020 4.614385 2.342473 1.471820 3.666819 4.958649 6.409770 4.360537 6.002916 3.258600 3.584027 7.506753 5.558566 1.542769 8.101200 2.437089 0.000000 3.360825 3.674970 5.725549 1.249096 1.261022 2.556360 4.966246 4.086636 5.277643 3.838053 4.555053 3.918772 3.414457 2.627935 1.530851 5.827966 4.823253 4.198778 6.957320 5.289874 3.720255 0.000000 4.326649 9.177058 10.424501 6.342342 4.832224 7.404086 1.336228 2.159412 1.338785 7.939235 9.234986 7.037424 8.634246 5.710638 6.058754 10.543609 7.753776 3.643991 11.188879 2.657722 3.497313 5.590411 0.000000 4.329768 7.938931 9.153538 5.167182 3.252248 6.265007 2.158086 1.331470 1.341899 7.045489 8.295566 6.532363 7.494244 5.117854 5.039589 9.490746 7.547039 3.625448 10.320707 3.491027 2.642947 4.314074 2.127887 0.000000 4.649169 3.998045 2.584767 5.157768 4.917087 2.137513 7.022825 6.298068 8.338381 1.092095 2.220536 2.202137 2.837632 3.022953 3.043663 2.744244 3.432325 4.922004 3.210817 6.460426 4.957774 4.409475 8.204537 7.210744 0.000000 5.356493 2.965305 3.326617 5.043735 6.045193 2.836075 8.473319 7.959563 9.675314 2.228139 1.094126 2.894542 2.171703 3.820882 3.757953 2.155027 2.699412 6.523227 2.775599 7.909308 6.909066 4.982719 9.490656 8.749595 3.055646 0.000000 3.164734 5.336996 4.777830 5.488712 5.108352 3.215910 5.790911 5.487644 7.522284 2.167629 3.502716 1.095748 4.162384 2.181586 3.195050 4.470130 2.144071 3.488455 4.497940 4.869633 4.214890 4.655179 7.041276 6.638059 2.310816 3.713082 0.000000 7.422590 3.212435 2.079901 6.302476 7.229745 3.937779 10.253518 9.509885 11.281357 3.544855 2.128450 4.835150 2.891364 5.709657 5.275038 1.101250 5.030909 8.307530 2.155585 9.801816 8.367570 6.286998 11.282938 10.195396 3.777770 2.454644 5.431698 0.000000 3.085071 5.764565 6.268195 5.629464 5.952148 4.285827 6.252776 6.330076 7.955625 3.553534 4.224517 2.170838 4.816060 2.825602 3.954495 5.464199 1.094009 4.331833 5.464462 5.283540 5.473812 5.203835 7.297524 7.388079 4.275303 3.770449 2.477032 6.122501 0.000000 4.446573 5.254689 5.090234 6.138284 6.620724 4.058416 7.619182 7.474843 9.275695 2.924089 3.167722 2.182200 4.244865 3.510231 4.328556 4.101020 1.095052 5.490606 3.838579 6.672691 6.398439 5.764319 8.740325 8.529008 3.557174 2.617476 2.485655 4.749163 1.769841 0.000000 3.724285 4.258087 5.311173 4.704345 5.600820 3.380585 7.040908 6.856175 8.410543 2.898426 2.999847 2.190581 3.464793 2.810491 3.379170 4.355091 1.094738 5.223173 4.675265 6.357171 6.011764 4.577649 7.998485 7.727109 3.893713 2.342100 3.070950 4.794831 1.766487 1.776253 0.000000 2.455013 7.191137 7.106166 5.946605 4.642264 4.860992 3.262386 3.255560 5.274832 4.558425 6.069895 3.488710 6.178426 3.025038 4.046352 7.133058 4.435206 1.089458 7.335953 2.189187 2.189095 4.849822 4.592563 4.578917 4.546972 6.372384 2.935131 8.089723 4.125227 5.099550 5.192554 0.000000 6.710550 5.223955 2.728180 7.332258 7.519764 4.331884 9.398959 8.837839 10.897458 3.021864 2.799764 3.823137 4.233486 5.195773 5.410294 2.173806 4.153673 7.141559 1.094638 8.598321 7.471498 6.831699 10.626582 9.830290 2.693308 3.134422 3.778608 3.073105 5.062830 3.518440 4.611723 6.552763 0.000000 8.233243 5.471497 2.718606 8.174585 8.620578 5.302447 10.966223 10.312227 12.319287 4.285042 3.486590 5.344925 4.781319 6.613072 6.574012 2.168992 5.551929 8.769270 1.095275 10.257482 8.974196 7.856200 12.152890 11.206136 4.027133 3.777814 5.471482 2.505157 6.537296 4.885628 5.760141 8.247299 1.773594 0.000000 7.291915 5.053089 3.394911 7.525424 8.208599 4.849578 10.301887 9.809315 11.738074 3.725062 2.812140 4.437166 4.294632 5.794813 5.944383 2.175268 4.216922 8.103805 1.094630 9.517336 8.552896 7.301191 11.458029 10.744745 3.874061 2.602127 4.708980 2.486793 5.172682 3.444000 4.339084 7.635500 1.777945 1.768989 0.000000 3.720710 9.176908 9.438736 7.230929 5.670612 6.951200 2.102014 2.911336 4.184011 6.885720 8.369639 5.766314 8.289156 4.995399 5.874769 9.506205 6.502598 2.202064 9.752393 1.092291 2.913895 6.197304 3.151429 4.038415 6.918800 8.619569 5.309307 10.430096 5.944247 7.244028 7.147207 2.421208 8.967950 10.668362 10.017009 0.000000 2.777525 8.618661 9.413696 6.492036 5.404795 6.606776 2.109385 3.174279 4.122812 6.618381 7.948388 5.323000 7.812695 4.435335 5.392826 9.254335 5.727399 2.231738 9.560968 1.089661 3.374376 5.668760 2.951808 4.183942 6.929696 8.005088 5.124038 10.072273 5.020572 6.581505 6.201984 2.793230 8.901774 10.567885 9.662137 1.785810 0.000000 2.875384 5.800090 6.390368 4.012845 2.085668 3.720721 3.165511 2.081258 4.084239 4.291785 5.654084 3.968555 5.088418 2.778899 2.735495 6.743870 5.260060 2.234721 7.493160 3.371155 1.093489 2.782636 4.168247 2.895814 4.335861 6.228723 4.031836 7.546924 5.370572 6.114022 5.586720 2.814674 6.967713 8.351366 7.987464 3.968437 4.178948 0.000000 3.779709 7.440166 7.414807 5.820302 3.808906 5.206432 2.899471 2.095283 4.165652 5.413714 6.915726 4.927088 6.612317 4.058074 4.378572 7.856326 6.217386 2.198796 8.361189 2.903935 1.093675 4.595498 4.020094 3.138690 5.194281 7.504952 4.583606 8.779919 6.161418 6.946377 6.781819 2.425215 7.645259 9.155976 8.901445 2.981956 3.956335 1.813802 0.000000 7.883460 4.315125 0.966955 6.999291 7.261321 4.281352 10.225779 9.323941 11.242228 3.843930 3.217250 5.318988 3.807151 6.138877 5.665813 1.956389 6.051415 8.264630 2.594541 9.811259 8.051300 6.653196 11.325615 10.018212 3.405579 4.067287 5.575044 2.335007 7.093783 5.799552 6.154133 7.920708 2.972791 2.450747 3.590594 10.262221 10.305827 7.250712 8.185586 0.000000 4.902483 10.015161 11.325037 7.145067 5.810533 8.269377 2.125403 3.194323 2.163113 8.738203 10.017053 7.717982 9.469220 6.445375 6.901634 11.362889 8.284184 4.328310 11.949631 3.083840 4.441634 6.475807 1.079611 3.179770 9.047500 10.188789 7.701133 12.096640 7.710617 9.261425 8.526438 5.211782 11.375731 12.938794 12.151637 3.462239 3.060503 5.163836 4.938484 12.235989 0.000000 4.897325 7.631135 8.885112 4.916928 2.906408 6.122193 3.190604 2.117598 2.167399 7.053790 8.223096 6.774249 7.291106 5.361020 5.015968 9.340944 7.886676 4.292412 10.281563 4.428335 3.056972 4.103861 3.179169 1.078685 7.174744 8.768790 6.949802 9.998032 7.868238 8.852946 8.003940 5.184358 9.852144 11.114354 10.777534 4.959235 5.166380 2.977939 3.454793 9.717821 4.203483 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5037066 0.1230624 0.1111334</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.385791" y3="-0.924896" z3="-1.383966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.453646" y3="2.177327" z3="-0.164816">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.6272" y3="-0.34281" z3="2.046172">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.240094" y3="2.827457" z3="-0.750522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="1.183262" y3="1.940706" z3="0.775208">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.861873" y3="0.480003" z3="0.405534">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.448626" y3="-0.66993" z3="-0.125348">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.727745" y3="0.006916" z3="0.799581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.440197" y3="1.260694" z3="0.22806">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.352737" y3="-0.92421" z3="0.298604">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.735298" y3="-0.359324" z3="-0.150901">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.332282" y3="-1.636377" z3="-0.63159">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.08988" y3="1.035621" z3="-0.004389">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.179257" y3="-0.614685" z3="-0.621555">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.547095" y3="0.58657" z3="-0.105541">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.969987" y3="-0.658555" z3="0.693144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.815381" y3="-1.965321" z3="-2.051939">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.351738" y3="-1.695833" z3="0.009679">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.437854" y3="-2.107184" z3="0.553522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.797397" y3="-1.945133" z3="-0.480875">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.519143" y3="-0.730632" z3="1.201528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.20933" y3="1.915066" z3="-0.0254">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.482829" y3="0.109638" z3="-0.454288">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.337187" y3="1.175701" z3="0.987557">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.393145" y3="-1.395278" z3="1.28305">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.954877" y3="-0.553955" z3="-1.204948">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-1.020627" y3="-2.572806" z3="-0.155528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.771315" y3="0.012308" z3="0.345913">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-1.006368" y3="-2.424066" z3="-2.628052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.652914" y3="-2.670363" z3="-2.027586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.135613" y3="-1.066241" z3="-2.588182">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.875802" y3="-2.62661" z3="0.316367">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.651534" y3="-2.802014" z3="0.865201">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.319155" y3="-2.285946" z3="1.178806">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.712076" y3="-2.331832" z3="-0.482118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.280762" y3="-2.756268" z3="0.068232">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.888191" y3="-2.118249" z3="-1.552859">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.712504" y3="-0.00185" z3="1.319553">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.729461" y3="-1.264731" z3="2.132457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.407576" y3="-0.504618" z3="2.593744">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.227095" y3="-0.179729" z3="-1.180851">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.953228" y3="1.930639" z3="1.655543">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3858,-.9249,-1.384;-3.4536,2.1773,-.1648;-4.6272,-.3428,2.0462;-.2401,2.8275,-.7505;1.1833,1.9407,.7752;-1.8619,.48,.4055;4.4486,-.6699,-.1253;3.7277,.0069,.7996;5.4402,1.2607,.2281;-2.3527,-.9242,.2986;-3.7353,-.3593,-.1509;-1.3323,-1.6364,-.6316;-3.0899,1.0356,-.0044;-.1793,-.6147,-.6216;-.5471,.5866,-.1055;-4.97,-.6586,.6931;-1.8154,-1.9653,-2.0519;2.3517,-1.6958,.0097;-5.4379,-2.1072,.5535;3.7974,-1.9451,-.4809;2.5191,-.7306,1.2015;.2093,1.9151,-.0254;5.4828,.1096,-.4543;4.3372,1.1757,.9876;-2.3931,-1.3953,1.2831;-3.9549,-.554,-1.2049;-1.0206,-2.5728,-.1555;-5.7713,.0123,.3459;-1.0064,-2.4241,-2.6281;-2.6529,-2.6704,-2.0276;-2.1356,-1.0662,-2.5882;1.8758,-2.6266,.3164;-4.6515,-2.802,.8652;-6.3192,-2.2859,1.1788;-5.7121,-2.3318,-.4821;4.2808,-2.7563,.0682;3.8882,-2.1182,-1.5529;1.7125,-.0019,1.3196;2.7295,-1.2647,2.1325;-5.4076,-.5046,2.5937;6.2271,-.1797,-1.1809;3.9532,1.9306,1.6555;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.876247 0.000000 6.946995 3.552012 0.000000 4.138225 3.330562 6.092520 0.000000 3.593707 4.737146 6.371127 2.267183 0.000000 3.965272 2.395819 3.318998 3.078502 3.397523 0.000000 3.321157 8.399663 9.337726 5.882742 4.276567 6.436348 0.000000 3.334802 7.563936 8.454668 5.109013 3.196019 5.623426 1.353988 0.000000 4.879922 8.949582 10.355155 5.973112 4.345490 7.345829 2.198959 2.197974 0.000000 4.099711 3.323596 2.926637 4.431583 4.575826 1.491373 6.819305 6.171728 8.093738 0.000000 5.297724 2.552278 2.371264 4.767764 5.508181 2.126925 8.189856 7.532235 9.325116 1.559688 0.000000 2.908642 4.388895 4.438492 4.597046 4.593753 2.415607 5.882958 5.509314 7.416096 1.553632 2.763406 0.000000 5.077253 1.208948 2.910022 3.447996 4.436969 1.408811 7.729981 6.941514 8.536212 2.115685 1.543989 3.259157 0.000000 1.768297 4.327305 5.193736 3.445094 3.215187 2.254873 4.654736 4.203651 5.984743 2.380444 3.596131 1.540592 3.402372 0.000000 2.766758 3.313919 4.705409 2.351983 2.367180 1.414636 5.151351 4.407891 6.034352 2.388750 3.325870 2.415520 2.584112 1.358156 0.000000 6.691879 3.328305 1.431043 6.050483 6.680222 3.322560 9.454117 8.723802 10.595837 2.660119 1.525257 3.992988 2.625183 4.968044 4.663712 0.000000 3.431643 4.838046 5.228134 5.210176 5.678175 3.467124 6.680387 6.538129 8.261294 2.626351 3.143128 1.535897 3.849996 2.558734 3.450965 4.381171 0.000000 1.862698 6.980996 7.394833 5.268363 3.895612 4.758727 2.338300 2.327379 4.281042 4.776082 6.234104 3.739888 6.088699 2.823698 3.691324 7.426354 4.657013 0.000000 7.191231 4.775995 2.449118 7.284774 7.763617 4.416229 10.013444 9.409473 11.392126 3.313965 2.539670 4.299055 3.962508 5.591173 5.622295 1.528699 4.464400 7.819381 0.000000 2.769891 8.346987 8.940204 6.257128 4.848835 6.220478 1.475345 2.335576 3.671336 6.282835 7.704879 5.141172 7.519742 4.195671 5.042321 8.938715 5.828543 1.546843 9.294412 0.000000 2.829665 6.782133 7.206529 4.907533 3.017014 4.614385 2.342475 1.471821 3.666821 4.958624 6.409756 4.360524 6.002918 3.258594 3.584029 7.506712 5.558561 1.542771 8.101149 2.437094 0.000000 3.360825 3.674998 5.725508 1.249096 1.261021 2.556363 4.966269 4.086671 5.277728 3.838053 4.555073 3.918773 3.414477 2.627934 1.530851 5.827963 4.823248 4.198778 6.957323 5.289879 3.720256 0.000000 4.326694 9.177130 10.424476 6.342407 4.832261 7.404128 1.336228 2.159412 1.338785 7.939255 9.235033 7.037452 8.634303 5.710677 6.058801 10.543628 7.753825 3.643998 11.188892 2.657720 3.497315 5.590465 0.000000 4.329823 7.939036 9.153512 5.167273 3.252317 6.265069 2.158085 1.331470 1.341898 7.045520 8.295625 6.532403 7.494325 5.117908 5.039658 9.490767 7.547095 3.625460 10.320715 3.491028 2.642948 4.314156 2.127887 0.000000 4.649150 3.998061 2.584772 5.157765 4.917050 2.137513 7.022787 6.298030 8.338372 1.092095 2.220538 2.202136 2.837642 3.022937 3.043650 2.744242 3.432333 4.921963 3.210806 6.460385 4.957719 4.409456 8.204516 7.210729 0.000000 5.356527 2.965302 3.326617 5.043815 6.045232 2.836087 8.473361 7.959611 9.675427 2.228141 1.094125 2.894544 2.171708 3.820909 3.757988 2.155027 2.699406 6.523235 2.775601 7.909324 6.909072 4.982773 9.490740 8.749692 3.055645 0.000000 3.164729 5.336987 4.777838 5.488723 5.108345 3.215918 5.790904 5.487644 7.522307 2.167630 3.502708 1.095748 4.162379 2.181587 3.195056 4.470129 2.144072 3.488441 4.497939 4.869617 4.214876 4.655182 7.041285 6.638080 2.310819 3.713067 0.000000 7.422601 3.212435 2.079901 6.302510 7.229740 3.937769 10.253522 9.509888 11.281416 3.544853 2.128450 4.835151 2.891361 5.709661 5.275041 1.101250 5.030917 8.307514 2.155585 9.801806 8.367540 6.287008 11.282975 10.195439 3.777771 2.454642 5.431693 0.000000 3.085075 5.764506 6.268208 5.629457 5.952134 4.285809 6.252797 6.330100 7.955692 3.553533 4.224512 2.170838 4.816023 2.825598 3.954481 5.464216 1.094009 4.331838 5.464514 5.283550 5.473813 5.203824 7.297573 7.388134 4.275310 3.770445 2.477035 6.122509 0.000000 4.446577 5.254635 5.090266 6.138291 6.620715 4.058402 7.619194 7.474858 9.275753 2.924093 3.167712 2.182201 4.244830 3.510230 4.328549 4.101045 1.095052 5.490601 3.838643 6.672689 6.398430 5.764317 8.740365 8.529056 3.557194 2.617446 2.485655 4.749173 1.769841 0.000000 3.724299 4.258010 5.311176 4.704345 5.600808 3.380553 7.040938 6.856207 8.410633 2.898422 2.999843 2.190582 3.464741 2.810490 3.379153 4.355110 1.094738 5.223178 4.675325 6.357185 6.011762 4.577641 7.998553 7.727182 3.893715 2.342113 3.070950 4.794842 1.766487 1.776254 0.000000 2.455010 7.191131 7.106124 5.946605 4.642255 4.860989 3.262382 3.255557 5.274831 4.558401 6.069874 3.488694 6.178416 3.025030 4.046352 7.133024 4.435200 1.089458 7.335912 2.189186 2.189094 4.849820 4.592560 4.578918 4.546929 6.372371 2.935111 8.089694 4.125231 5.099539 5.192553 0.000000 6.710560 5.223955 2.728181 7.332278 7.519730 4.331874 9.398929 8.837800 10.897457 3.021862 2.799765 3.823156 4.233484 5.195779 5.410292 2.173806 4.153736 7.141524 1.094638 8.598290 7.471435 6.831692 10.626574 9.830274 2.693292 3.134424 3.778612 3.073106 5.062894 3.518526 4.611791 6.552716 0.000000 8.233254 5.471497 2.718605 8.174607 8.620542 5.302433 10.966195 10.312189 12.319292 4.285039 3.486591 5.344940 4.781316 6.613076 6.574008 2.168992 5.551982 8.769235 1.095275 10.257452 8.974132 7.856191 12.152887 11.206124 4.027122 3.777815 5.471485 2.505158 6.537352 4.885699 5.760200 8.247253 1.773594 0.000000 7.291949 5.053089 3.394911 7.525483 8.208602 4.849578 10.301896 9.809318 11.738134 3.725062 2.812142 4.437183 4.294634 5.794837 5.944401 2.175269 4.216978 8.103793 1.094630 9.517332 8.552863 7.301218 11.458073 10.744785 3.874049 2.602129 4.708973 2.486793 5.172739 3.444059 4.339160 7.635467 1.777945 1.768989 0.000000 3.720707 9.176914 9.438687 7.230939 5.670617 6.951201 2.102013 2.911337 4.183996 6.885696 8.369622 5.766296 8.289153 4.995393 5.874774 9.506170 6.502590 2.202064 9.752349 1.092291 2.913908 6.197313 3.151414 4.038407 6.918750 8.619566 5.309279 10.430070 5.944244 7.244011 7.147209 2.421201 8.967896 10.668309 10.016977 0.000000 2.777521 8.618655 9.413666 6.492032 5.404781 6.606774 2.109384 3.174278 4.122820 6.618370 7.948389 5.322995 7.812691 4.435331 5.392823 9.254327 5.727408 2.231737 9.560967 1.089661 3.374377 5.668754 2.951814 4.183947 6.929665 8.005110 5.124027 10.072272 5.020585 6.581509 6.202002 2.793233 8.901767 10.567878 9.662155 1.785810 0.000000 2.875374 5.800110 6.390311 4.012833 2.085649 3.720724 3.165507 2.081260 4.084246 4.291767 5.654076 3.968547 5.088425 2.778890 2.735493 6.743837 5.260053 2.234720 7.493121 3.371153 1.093490 2.782624 4.168248 2.895826 4.335820 6.228735 4.031834 7.546901 5.370567 6.114015 5.586710 2.814679 6.967663 8.351315 7.987442 3.968447 4.178937 0.000000 3.779705 7.440164 7.414705 5.820294 3.808895 5.206410 2.899482 2.095283 4.165644 5.413659 6.915677 4.927051 6.612296 4.058051 4.378558 7.856244 6.217361 2.198798 8.361089 2.903952 1.093675 4.595488 4.020096 3.138676 5.194192 7.504922 4.583568 8.779849 6.161406 6.946346 6.781797 2.425208 7.645146 9.155861 8.901362 2.981986 3.956350 1.813803 0.000000 7.883441 4.315127 0.966955 6.999265 7.261255 4.281325 10.225727 9.323882 11.242195 3.843925 3.217250 5.318992 3.807144 6.138858 5.665783 1.956389 6.051437 8.264583 2.594540 9.811212 8.051225 6.653151 11.325578 10.018169 3.405582 4.067287 5.575053 2.335008 7.093805 5.799594 6.154146 7.920662 2.972791 2.450746 3.590593 10.262164 10.305794 7.250646 8.185470 0.000000 4.902526 10.015229 11.325017 7.145130 5.810565 8.269418 2.125403 3.194323 2.163113 8.738224 10.017102 7.718011 9.469275 6.445413 6.901678 11.362913 8.284236 4.328317 11.949652 3.083838 4.441636 6.475858 1.079611 3.179770 9.047481 10.188876 7.701142 12.096683 7.710670 9.261468 8.526510 5.211780 11.375732 12.938800 12.151691 3.462222 3.060510 5.163836 4.938490 12.235959 0.000000 4.897390 7.631274 8.885094 4.917050 2.906510 6.122276 3.190604 2.117599 2.167398 7.053838 8.223175 6.774304 7.291214 5.361089 5.016059 9.340980 7.886747 4.292428 10.281580 4.428338 3.056974 4.103972 3.179169 1.078685 7.174742 8.768908 6.949836 9.998092 7.868306 8.853009 8.004028 5.184363 9.852135 11.114348 10.777586 4.959228 5.166388 2.977960 3.454771 9.717785 4.203482 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5037027 0.1230617 0.1111334</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.385792" y3="-0.924902" z3="-1.383946">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.453633" y3="2.177336" z3="-0.164779">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.62722" y3="-0.342823" z3="2.046167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.240103" y3="2.827452" z3="-0.750499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="1.183266" y3="1.940706" z3="0.775223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.86187" y3="0.479998" z3="0.405556">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.448628" y3="-0.669933" z3="-0.125358">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.727754" y3="0.00692" z3="0.799572">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.440186" y3="1.260706" z3="0.228007">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.35274" y3="-0.924212" z3="0.298614">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.735296" y3="-0.359316" z3="-0.150898">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.332283" y3="-1.636379" z3="-0.631576">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.089874" y3="1.035626" z3="-0.004365">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.179256" y3="-0.614689" z3="-0.621536">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.547093" y3="0.586564" z3="-0.105519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.969995" y3="-0.658552" z3="0.693131">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.815376" y3="-1.965324" z3="-2.051927">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.351743" y3="-1.695836" z3="0.009698">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.437863" y3="-2.107179" z3="0.553488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.797398" y3="-1.945142" z3="-0.480864">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.51916" y3="-0.73063" z3="1.20154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.20933" y3="1.915062" z3="-0.025382">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.482819" y3="0.10964" z3="-0.454324">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.337186" y3="1.175715" z3="0.987519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.39316" y3="-1.395285" z3="1.283057">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.954865" y3="-0.553933" z3="-1.204949">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-1.020631" y3="-2.572809" z3="-0.155513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.771317" y3="0.012317" z3="0.3459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-1.00636" y3="-2.424069" z3="-2.628037">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.652909" y3="-2.670366" z3="-2.027577">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.135607" y3="-1.066243" z3="-2.588171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.875805" y3="-2.626611" z3="0.316394">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.651548" y3="-2.802014" z3="0.865168">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.319172" y3="-2.285946" z3="1.17876">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.712073" y3="-2.331814" z3="-0.482158">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.280767" y3="-2.756269" z3="0.068252">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.888186" y3="-2.118273" z3="-1.552845">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.712522" y3="-0.001849" z3="1.319575">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.729494" y3="-1.264724" z3="2.132468">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.407597" y3="-0.50465" z3="2.593731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.227078" y3="-0.179732" z3="-1.180892">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.953226" y3="1.930661" z3="1.655497">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3858,-.9249,-1.3839;-3.4536,2.1773,-.1648;-4.6272,-.3428,2.0462;-.2401,2.8275,-.7505;1.1833,1.9407,.7752;-1.8619,.48,.4056;4.4486,-.6699,-.1254;3.7278,.0069,.7996;5.4402,1.2607,.228;-2.3527,-.9242,.2986;-3.7353,-.3593,-.1509;-1.3323,-1.6364,-.6316;-3.0899,1.0356,-.0044;-.1793,-.6147,-.6215;-.5471,.5866,-.1055;-4.97,-.6586,.6931;-1.8154,-1.9653,-2.0519;2.3517,-1.6958,.0097;-5.4379,-2.1072,.5535;3.7974,-1.9451,-.4809;2.5192,-.7306,1.2015;.2093,1.9151,-.0254;5.4828,.1096,-.4543;4.3372,1.1757,.9875;-2.3932,-1.3953,1.2831;-3.9549,-.5539,-1.2049;-1.0206,-2.5728,-.1555;-5.7713,.0123,.3459;-1.0064,-2.4241,-2.628;-2.6529,-2.6704,-2.0276;-2.1356,-1.0662,-2.5882;1.8758,-2.6266,.3164;-4.6515,-2.802,.8652;-6.3192,-2.2859,1.1788;-5.7121,-2.3318,-.4822;4.2808,-2.7563,.0683;3.8882,-2.1183,-1.5528;1.7125,-.0018,1.3196;2.7295,-1.2647,2.1325;-5.4076,-.5047,2.5937;6.2271,-.1797,-1.1809;3.9532,1.9307,1.6555;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.876248 0.000000 6.947000 3.552012 0.000000 4.138230 3.330540 6.092518 0.000000 3.593708 4.737133 6.371150 2.267184 0.000000 3.965271 2.395818 3.319005 3.078495 3.397525 0.000000 3.321146 8.399656 9.337748 5.882745 4.276572 6.436350 0.000000 3.334790 7.563927 8.454697 5.109011 3.196019 5.623428 1.353988 0.000000 4.879896 8.949554 10.355177 5.973094 4.345483 7.345819 2.198959 2.197974 0.000000 4.099712 3.323597 2.926638 4.431575 4.575833 1.491373 6.819312 6.171740 8.093735 0.000000 5.297720 2.552279 2.371264 4.767744 5.508180 2.126925 8.189856 7.532239 9.325101 1.559689 0.000000 2.908641 4.388901 4.438492 4.597041 4.593757 2.415608 5.882958 5.509318 7.416085 1.553632 2.763407 0.000000 5.077253 1.208948 2.910024 3.447978 4.436964 1.408811 7.729979 6.941512 8.536192 2.115685 1.543989 3.259161 0.000000 1.768297 4.327306 5.193741 3.445094 3.215190 2.254873 4.654734 4.203649 5.984727 2.380445 3.596128 1.540592 3.402372 0.000000 2.766758 3.313916 4.705417 2.351982 2.367181 1.414636 5.151349 4.407889 6.034337 2.388750 3.325866 2.415520 2.584110 1.358156 0.000000 6.691877 3.328306 1.431043 6.050468 6.680231 3.322564 9.454126 8.723818 10.595837 2.660120 1.525257 3.992987 2.625185 4.968044 4.663713 0.000000 3.431640 4.838062 5.228131 5.210173 5.678177 3.467129 6.680377 6.538125 8.261268 2.626351 3.143130 1.535897 3.850007 2.558734 3.450967 4.381166 0.000000 1.862699 6.980995 7.394848 5.268368 3.895614 4.758728 2.338299 2.327377 4.281037 4.776090 6.234109 3.739895 6.088701 2.823701 3.691324 7.426364 4.657016 0.000000 7.191224 4.775997 2.449119 7.284757 7.763626 4.416231 10.013451 9.409490 11.392126 3.313964 2.539670 4.299049 3.962509 5.591168 5.622293 1.528699 4.464384 7.819391 0.000000 2.769890 8.346986 8.940218 6.257137 4.848840 6.220479 1.475345 2.335575 3.671336 6.282840 7.704881 5.141174 7.519743 4.195672 5.042323 8.938722 5.828540 1.546843 9.294417 0.000000 2.829665 6.782135 7.206563 4.907538 3.017017 4.614395 2.342474 1.471820 3.666821 4.958645 6.409773 4.360540 6.002927 3.258604 3.584035 7.506738 5.558572 1.542770 8.101178 2.437091 0.000000 3.360826 3.674986 5.725520 1.249096 1.261021 2.556362 4.966270 4.086668 5.277712 3.838053 4.555065 3.918772 3.414469 2.627935 1.530851 5.827963 4.823247 4.198779 6.957320 5.289883 3.720260 0.000000 4.326674 9.177112 10.424494 6.342401 4.832261 7.404122 1.336228 2.159412 1.338785 7.939254 9.235022 7.037444 8.634291 5.710666 6.058792 10.543628 7.753803 3.643995 11.188891 2.657720 3.497315 5.590458 0.000000 4.329800 7.939011 9.153539 5.167254 3.252306 6.265062 2.158085 1.331470 1.341898 7.045523 8.295618 6.532398 7.494309 5.117895 5.039644 9.490775 7.547077 3.625455 10.320725 3.491027 2.642948 4.314139 2.127887 0.000000 4.649155 3.998056 2.584771 5.157762 4.917067 2.137513 7.022807 6.298057 8.338389 1.092095 2.220538 2.202137 2.837639 3.022942 3.043654 2.744242 3.432331 4.921979 3.210807 6.460399 4.957752 4.409463 8.204531 7.210752 0.000000 5.356518 2.965302 3.326617 5.043783 6.045221 2.836083 8.473350 7.959604 9.675395 2.228141 1.094125 2.894544 2.171707 3.820902 3.757977 2.155027 2.699409 6.523237 2.775600 7.909320 6.909082 4.982754 9.490714 8.749669 3.055645 0.000000 3.164730 5.336990 4.777837 5.488720 5.108350 3.215915 5.790909 5.487654 7.522305 2.167630 3.502710 1.095748 4.162381 2.181587 3.195055 4.470129 2.144072 3.488449 4.497937 4.869622 4.214895 4.655182 7.041284 6.638084 2.310818 3.713073 0.000000 7.422598 3.212438 2.079901 6.302492 7.229746 3.937773 10.253527 9.509899 11.281408 3.544854 2.128450 4.835151 2.891364 5.709660 5.275041 1.101250 5.030915 8.307522 2.155585 9.801810 8.367563 6.287005 11.282970 10.195440 3.777771 2.454642 5.431695 0.000000 3.085070 5.764522 6.268205 5.629455 5.952134 4.285813 6.252782 6.330090 7.955659 3.553533 4.224514 2.170838 4.816032 2.825597 3.954483 5.464212 1.094009 4.331839 5.464498 5.283542 5.473819 5.203823 7.297545 7.388110 4.275309 3.770447 2.477035 6.122507 0.000000 4.446573 5.254654 5.090260 6.138287 6.620718 4.058407 7.619186 7.474857 9.275730 2.924093 3.167718 2.182201 4.244843 3.510230 4.328552 4.101040 1.095052 5.490605 3.838625 6.672686 6.398443 5.764317 8.740345 8.529043 3.557189 2.617459 2.485653 4.749173 1.769842 0.000000 3.724297 4.258031 5.311173 4.704342 5.600810 3.380561 7.040927 6.856199 8.410600 2.898422 2.999842 2.190581 3.464756 2.810491 3.379158 4.355102 1.094738 5.223181 4.675304 6.357181 6.011772 4.577641 7.998526 7.727159 3.893713 2.342108 3.070950 4.794836 1.766487 1.776253 0.000000 2.455012 7.191130 7.106135 5.946606 4.642253 4.860986 3.262384 3.255558 5.274832 4.558408 6.069880 3.488701 6.178417 3.025032 4.046349 7.133033 4.435207 1.089458 7.335924 2.189186 2.189094 4.849818 4.592562 4.578917 4.546940 6.372378 2.935121 8.089703 4.125237 5.099546 5.192559 0.000000 6.710555 5.223956 2.728181 7.332265 7.519742 4.331875 9.398942 8.837822 10.897466 3.021860 2.799765 3.823149 4.233485 5.195775 5.410290 2.173806 4.153717 7.141536 1.094638 8.598297 7.471468 6.831692 10.626579 9.830292 2.693294 3.134425 3.778609 3.073105 5.062877 3.518503 4.611769 6.552729 0.000000 8.233249 5.471499 2.718607 8.174593 8.620557 5.302436 10.966209 10.312213 12.319301 4.285039 3.486590 5.344934 4.781317 6.613074 6.574008 2.168992 5.551965 8.769248 1.095275 10.257460 8.974166 7.856193 12.152893 11.206143 4.027124 3.777815 5.471482 2.505157 6.537335 4.885679 5.760179 8.247265 1.773594 0.000000 7.291935 5.053090 3.394911 7.525457 8.208601 4.849576 10.301893 9.809324 11.738118 3.725060 2.812140 4.437175 4.294633 5.794827 5.944393 2.175269 4.216959 8.103797 1.094630 9.517329 8.552885 7.301207 11.458058 10.744781 3.874049 2.602128 4.708971 2.486793 5.172721 3.444041 4.339133 7.635476 1.777945 1.768989 0.000000 3.720708 9.176912 9.438703 7.230944 5.670617 6.951201 2.102013 2.911334 4.184000 6.885704 8.369628 5.766302 8.289155 4.995395 5.874773 9.506181 6.502593 2.202063 9.752361 1.092292 2.913900 6.197314 3.151420 4.038407 6.918766 8.619569 5.309289 10.430079 5.944245 7.244015 7.147211 2.421204 8.967911 10.668325 10.016984 0.000000 2.777523 8.618659 9.413674 6.492050 5.404794 6.606777 2.109384 3.174279 4.122819 6.618372 7.948388 5.322993 7.812694 4.435333 5.392828 9.254327 5.727399 2.231738 9.560960 1.089661 3.374377 5.668766 2.951813 4.183946 6.929672 8.005101 5.124024 10.072271 5.020571 6.581497 6.201995 2.793231 8.901761 10.567873 9.662140 1.785810 0.000000 2.875379 5.800112 6.390347 4.012840 2.085653 3.720737 3.165508 2.081259 4.084243 4.291791 5.654095 3.968566 5.088435 2.778904 2.735503 6.743865 5.260068 2.234720 7.493151 3.371153 1.093490 2.782631 4.168248 2.895821 4.335853 6.228747 4.031853 7.546926 5.370578 6.114032 5.586726 2.814677 6.967696 8.351350 7.987465 3.968441 4.178943 0.000000 3.779707 7.440173 7.414755 5.820301 3.808899 5.206429 2.899478 2.095284 4.165647 5.413693 6.915709 4.927078 6.612314 4.058067 4.378570 7.856288 6.217382 2.198797 8.361138 2.903944 1.093675 4.595495 4.020095 3.138682 5.194240 7.504947 4.583599 8.779889 6.161420 6.946371 6.781816 2.425211 7.645200 9.155917 8.901405 2.981970 3.956343 1.813803 0.000000 7.883442 4.315136 0.966955 6.999270 7.261281 4.281334 10.225748 9.323912 11.242221 3.843923 3.217250 5.318985 3.807151 6.138860 5.665792 1.956389 6.051426 8.264593 2.594533 9.811222 8.051257 6.653167 11.325597 10.018200 3.405573 4.067287 5.575042 2.335014 7.093794 5.799578 6.154138 7.920665 2.972779 2.450740 3.590588 10.262175 10.305797 7.250681 8.185519 0.000000 4.902505 10.015210 11.325030 7.145125 5.810567 8.269411 2.125403 3.194323 2.163113 8.738219 10.017087 7.717999 9.469261 6.445400 6.901669 11.362908 8.284208 4.328314 11.949644 3.083839 4.441636 6.475852 1.079611 3.179770 9.047492 10.188846 7.701137 12.096672 7.710636 9.261442 8.526478 5.211781 11.375730 12.938798 12.151668 3.462229 3.060508 5.163836 4.938488 12.235972 0.000000 4.897363 7.631239 8.885123 4.917016 2.906486 6.122264 3.190604 2.117598 2.167399 7.053838 8.223164 6.774295 7.291192 5.361072 5.016038 9.340987 7.886726 4.292421 10.281592 4.428336 3.056973 4.103943 3.179169 1.078685 7.174764 8.768880 6.949838 9.998091 7.868279 8.852994 8.004001 5.184361 9.852155 11.114370 10.777582 4.959228 5.166386 2.977951 3.454780 9.717820 4.203482 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5037047 0.1230618 0.1111332</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.385792" y3="-0.924899" z3="-1.383958">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.45364" y3="2.177331" z3="-0.164807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.627206" y3="-0.34281" z3="2.04617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.240096" y3="2.827455" z3="-0.750517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="1.183262" y3="1.940706" z3="0.775213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.861873" y3="0.480001" z3="0.405539">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.448625" y3="-0.669931" z3="-0.125352">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.727746" y3="0.006917" z3="0.799578">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.440192" y3="1.260698" z3="0.228043">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.352738" y3="-0.924211" z3="0.298605">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.735298" y3="-0.359321" z3="-0.150902">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.332283" y3="-1.636377" z3="-0.631588">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.089878" y3="1.035623" z3="-0.004383">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.179256" y3="-0.614687" z3="-0.621549">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.547095" y3="0.586568" z3="-0.105535">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.96999" y3="-0.658553" z3="0.69314">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.815379" y3="-1.965318" z3="-2.051938">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.351739" y3="-1.695836" z3="0.009688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.437856" y3="-2.107182" z3="0.553515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.797397" y3="-1.945137" z3="-0.480869">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.519148" y3="-0.730632" z3="1.201533">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.209331" y3="1.915064" z3="-0.025396">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.482824" y3="0.109639" z3="-0.4543">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.337185" y3="1.175706" z3="0.987544">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.39315" y3="-1.395281" z3="1.28305">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.954876" y3="-0.553948" z3="-1.204949">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-1.020629" y3="-2.572807" z3="-0.155528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.771316" y3="0.012311" z3="0.345909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-1.006365" y3="-2.424062" z3="-2.628052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.652912" y3="-2.670361" z3="-2.027587">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.135612" y3="-1.066237" z3="-2.588179">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.875803" y3="-2.626612" z3="0.316379">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.651536" y3="-2.802012" z3="0.865195">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.319159" y3="-2.285945" z3="1.178795">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.712074" y3="-2.331828" z3="-0.482127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.280764" y3="-2.756268" z3="0.068243">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.88819" y3="-2.118261" z3="-1.552851">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.712509" y3="-0.001851" z3="1.319562">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.729473" y3="-1.264728" z3="2.132462">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.407576" y3="-0.504639" z3="2.593742">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.227088" y3="-0.179729" z3="-1.180865">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.953225" y3="1.930646" z3="1.655527">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3858,-.9249,-1.384;-3.4536,2.1773,-.1648;-4.6272,-.3428,2.0462;-.2401,2.8275,-.7505;1.1833,1.9407,.7752;-1.8619,.48,.4055;4.4486,-.6699,-.1254;3.7277,.0069,.7996;5.4402,1.2607,.228;-2.3527,-.9242,.2986;-3.7353,-.3593,-.1509;-1.3323,-1.6364,-.6316;-3.0899,1.0356,-.0044;-.1793,-.6147,-.6215;-.5471,.5866,-.1055;-4.97,-.6586,.6931;-1.8154,-1.9653,-2.0519;2.3517,-1.6958,.0097;-5.4379,-2.1072,.5535;3.7974,-1.9451,-.4809;2.5191,-.7306,1.2015;.2093,1.9151,-.0254;5.4828,.1096,-.4543;4.3372,1.1757,.9875;-2.3931,-1.3953,1.2831;-3.9549,-.5539,-1.2049;-1.0206,-2.5728,-.1555;-5.7713,.0123,.3459;-1.0064,-2.4241,-2.6281;-2.6529,-2.6704,-2.0276;-2.1356,-1.0662,-2.5882;1.8758,-2.6266,.3164;-4.6515,-2.802,.8652;-6.3192,-2.2859,1.1788;-5.7121,-2.3318,-.4821;4.2808,-2.7563,.0682;3.8882,-2.1183,-1.5529;1.7125,-.0019,1.3196;2.7295,-1.2647,2.1325;-5.4076,-.5046,2.5937;6.2271,-.1797,-1.1809;3.9532,1.9306,1.6555;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.876246 0.000000 6.946996 3.552011 0.000000 4.138227 3.330553 6.092516 0.000000 3.593707 4.737140 6.371131 2.267184 0.000000 3.965271 2.395819 3.318999 3.078500 3.397524 0.000000 3.321150 8.399657 9.337730 5.882741 4.276568 6.436347 0.000000 3.334795 7.563930 8.454674 5.109011 3.196018 5.623426 1.353988 0.000000 4.879911 8.949570 10.355159 5.973105 4.345487 7.345825 2.198959 2.197974 0.000000 4.099711 3.323597 2.926638 4.431580 4.575828 1.491373 6.819306 6.171731 8.093736 0.000000 5.297724 2.552279 2.371264 4.767758 5.508181 2.126925 8.189855 7.532236 9.325110 1.559689 0.000000 2.908641 4.388896 4.438493 4.597044 4.593755 2.415606 5.882957 5.509314 7.416092 1.553631 2.763407 0.000000 5.077253 1.208948 2.910020 3.447990 4.436967 1.408811 7.729979 6.941512 8.536204 2.115685 1.543990 3.259158 0.000000 1.768297 4.327305 5.193737 3.445094 3.215188 2.254873 4.654733 4.203648 5.984736 2.380444 3.596131 1.540592 3.402372 0.000000 2.766758 3.313917 4.705410 2.351983 2.367181 1.414636 5.151348 4.407889 6.034345 2.388751 3.325869 2.415520 2.584111 1.358156 0.000000 6.691879 3.328306 1.431043 6.050478 6.680224 3.322560 9.454118 8.723806 10.595835 2.660120 1.525257 3.992989 2.625184 4.968044 4.663712 0.000000 3.431642 4.838048 5.228135 5.210172 5.678174 3.467123 6.680382 6.538126 8.261283 2.626350 3.143129 1.535897 3.849997 2.558734 3.450964 4.381171 0.000000 1.862698 6.980996 7.394837 5.268366 3.895614 4.758728 2.338299 2.327378 4.281041 4.776085 6.234107 3.739891 6.088700 2.823700 3.691325 7.426357 4.657016 0.000000 7.191229 4.775997 2.449119 7.284768 7.763618 4.416228 10.013443 9.409475 11.392123 3.313963 2.539670 4.299053 3.962508 5.591171 5.622293 1.528699 4.464398 7.819383 0.000000 2.769890 8.346986 8.940207 6.257132 4.848837 6.220478 1.475344 2.335576 3.671336 6.282836 7.704881 5.141173 7.519742 4.195671 5.042322 8.938717 5.828544 1.546843 9.294412 0.000000 2.829664 6.782134 7.206538 4.907536 3.017017 4.614389 2.342474 1.471820 3.666821 4.958632 6.409762 4.360531 6.002922 3.258598 3.584032 7.506720 5.558566 1.542770 8.101157 2.437092 0.000000 3.360825 3.674993 5.725510 1.249096 1.261021 2.556364 4.966267 4.086668 5.277721 3.838053 4.555071 3.918772 3.414474 2.627934 1.530851 5.827963 4.823245 4.198779 6.957321 5.289880 3.720258 0.000000 4.326685 9.177121 10.424479 6.342403 4.832260 7.404125 1.336228 2.159412 1.338785 7.939253 9.235028 7.037448 8.634297 5.710671 6.058797 10.543626 7.753816 3.643997 11.188889 2.657720 3.497315 5.590461 0.000000 4.329813 7.939025 9.153517 5.167265 3.252313 6.265066 2.158085 1.331470 1.341898 7.045520 8.295622 6.532401 7.494318 5.117902 5.039652 9.490768 7.547088 3.625459 10.320715 3.491027 2.642948 4.314149 2.127887 0.000000 4.649150 3.998060 2.584773 5.157764 4.917055 2.137513 7.022792 6.298037 8.338375 1.092095 2.220539 2.202136 2.837641 3.022938 3.043651 2.744242 3.432333 4.921967 3.210804 6.460388 4.957729 4.409458 8.204519 7.210735 0.000000 5.356528 2.965302 3.326617 5.043806 6.045230 2.836086 8.473359 7.959610 9.675418 2.228142 1.094125 2.894546 2.171708 3.820910 3.757986 2.155027 2.699408 6.523239 2.775601 7.909326 6.909079 4.982769 9.490732 8.749686 3.055646 0.000000 3.164729 5.336988 4.777840 5.488722 5.108348 3.215917 5.790905 5.487647 7.522307 2.167631 3.502709 1.095748 4.162380 2.181587 3.195056 4.470129 2.144072 3.488444 4.497938 4.869619 4.214884 4.655183 7.041284 6.638082 2.310819 3.713070 0.000000 7.422601 3.212439 2.079901 6.302506 7.229742 3.937771 10.253523 9.509891 11.281413 3.544853 2.128450 4.835152 2.891363 5.709662 5.275042 1.101250 5.030917 8.307517 2.155585 9.801808 8.367548 6.287008 11.282973 10.195439 3.777771 2.454642 5.431694 0.000000 3.085073 5.764507 6.268209 5.629452 5.952132 4.285808 6.252791 6.330096 7.955679 3.553533 4.224512 2.170838 4.816024 2.825597 3.954480 5.464216 1.094009 4.331841 5.464512 5.283549 5.473817 5.203820 7.297562 7.388125 4.275310 3.770446 2.477036 6.122509 0.000000 4.446575 5.254639 5.090268 6.138287 6.620715 4.058402 7.619189 7.474857 9.275744 2.924093 3.167714 2.182200 4.244833 3.510230 4.328549 4.101046 1.095052 5.490603 3.838642 6.672689 6.398436 5.764315 8.740357 8.529051 3.557193 2.617450 2.485653 4.749174 1.769841 0.000000 3.724300 4.258012 5.311175 4.704340 5.600807 3.380552 7.040933 6.856203 8.410620 2.898420 2.999841 2.190581 3.464743 2.810491 3.379153 4.355108 1.094738 5.223182 4.675321 6.357186 6.011767 4.577638 7.998543 7.727173 3.893714 2.342112 3.070950 4.794840 1.766487 1.776253 0.000000 2.455011 7.191131 7.106127 5.946607 4.642256 4.860989 3.262382 3.255557 5.274832 4.558404 6.069877 3.488699 6.178417 3.025032 4.046352 7.133027 4.435207 1.089458 7.335915 2.189186 2.189094 4.849821 4.592561 4.578918 4.546931 6.372377 2.935116 8.089698 4.125238 5.099544 5.192559 0.000000 6.710557 5.223956 2.728181 7.332273 7.519731 4.331872 9.398930 8.837803 10.897456 3.021859 2.799765 3.823155 4.233484 5.195777 5.410289 2.173806 4.153735 7.141526 1.094638 8.598290 7.471443 6.831690 10.626572 9.830276 2.693289 3.134426 3.778611 3.073105 5.062894 3.518525 4.611788 6.552719 0.000000 8.233252 5.471499 2.718607 8.174602 8.620545 5.302432 10.966197 10.312194 12.319292 4.285038 3.486591 5.344939 4.781316 6.613075 6.574007 2.168992 5.551980 8.769238 1.095275 10.257453 8.974141 7.856191 12.152886 11.206127 4.027121 3.777816 5.471483 2.505157 6.537350 4.885697 5.760196 8.247255 1.773594 0.000000 7.291944 5.053091 3.394911 7.525475 8.208600 4.849575 10.301892 9.809317 11.738127 3.725059 2.812141 4.437180 4.294633 5.794833 5.944398 2.175269 4.216974 8.103792 1.094630 9.517330 8.552869 7.301214 11.458066 10.744781 3.874045 2.602129 4.708969 2.486793 5.172736 3.444056 4.339154 7.635469 1.777945 1.768989 0.000000 3.720707 9.176912 9.438692 7.230941 5.670616 6.951201 2.102013 2.911335 4.183996 6.885699 8.369626 5.766300 8.289154 4.995394 5.874774 9.506174 6.502594 2.202063 9.752353 1.092292 2.913904 6.197313 3.151416 4.038405 6.918755 8.619571 5.309284 10.430074 5.944250 7.244015 7.147214 2.421202 8.967899 10.668313 10.016979 0.000000 2.777522 8.618657 9.413668 6.492040 5.404788 6.606775 2.109384 3.174279 4.122821 6.618371 7.948390 5.322995 7.812693 4.435333 5.392826 9.254327 5.727406 2.231738 9.560964 1.089661 3.374377 5.668760 2.951815 4.183948 6.929666 8.005111 5.124025 10.072273 5.020582 6.581505 6.202003 2.793232 8.901763 10.567876 9.662149 1.785810 0.000000 2.875375 5.800111 6.390320 4.012837 2.085653 3.720729 3.165507 2.081259 4.084246 4.291776 5.654083 3.968554 5.088429 2.778895 2.735498 6.743845 5.260059 2.234720 7.493128 3.371153 1.093490 2.782629 4.168248 2.895824 4.335829 6.228742 4.031842 7.546910 5.370572 6.114022 5.586716 2.814678 6.967670 8.351324 7.987447 3.968444 4.178940 0.000000 3.779705 7.440168 7.414722 5.820298 3.808898 5.206419 2.899481 2.095283 4.165644 5.413673 6.915691 4.927063 6.612304 4.058058 4.378564 7.856260 6.217372 2.198797 8.361104 2.903948 1.093675 4.595492 4.020095 3.138677 5.194209 7.504935 4.583583 8.779864 6.161415 6.946358 6.781807 2.425209 7.645162 9.155879 8.901376 2.981978 3.956347 1.813803 0.000000 7.883436 4.315138 0.966955 6.999269 7.261261 4.281327 10.225726 9.323885 11.242198 3.843921 3.217251 5.318985 3.807149 6.138855 5.665784 1.956389 6.051431 8.264579 2.594531 9.811207 8.051228 6.653156 11.325577 10.018173 3.405572 4.067287 5.575043 2.335016 7.093798 5.799587 6.154141 7.920654 2.972775 2.450737 3.590587 10.262159 10.305789 7.250651 8.185480 0.000000 4.902516 10.015219 11.325018 7.145126 5.810565 8.269414 2.125403 3.194323 2.163113 8.738221 10.017096 7.718006 9.469269 6.445406 6.901673 11.362909 8.284224 4.328316 11.949647 3.083838 4.441636 6.475853 1.079611 3.179770 9.047482 10.188867 7.701139 12.096678 7.710656 9.261457 8.526498 5.211781 11.375728 12.938797 12.151681 3.462225 3.060510 5.163836 4.938489 12.235956 0.000000 4.897379 7.631259 8.885099 4.917037 2.906501 6.122271 3.190604 2.117598 2.167398 7.053837 8.223170 6.774300 7.291205 5.361081 5.016051 9.340979 7.886738 4.292425 10.281580 4.428337 3.056974 4.103960 3.179169 1.078685 7.174747 8.768899 6.949837 9.998090 7.868295 8.853002 8.004017 5.184362 9.852137 11.114351 10.777581 4.959226 5.166389 2.977956 3.454773 9.717790 4.203482 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5037033 0.1230617 0.1111334</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.385793" y3="-0.924901" z3="-1.383945">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.453636" y3="2.177335" z3="-0.164788">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.627218" y3="-0.342817" z3="2.046166">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.240107" y3="2.827454" z3="-0.750499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="1.183263" y3="1.940707" z3="0.77522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.861874" y3="0.479998" z3="0.405551">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.448627" y3="-0.669935" z3="-0.125357">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.727754" y3="0.006921" z3="0.799572">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.440192" y3="1.2607" z3="0.228011">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.352742" y3="-0.924212" z3="0.29861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.735298" y3="-0.359317" z3="-0.1509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.332284" y3="-1.636378" z3="-0.631581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.089877" y3="1.035625" z3="-0.004371">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.179256" y3="-0.614688" z3="-0.621538">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.547095" y3="0.586565" z3="-0.105522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.969995" y3="-0.658553" z3="0.693133">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.815376" y3="-1.965317" z3="-2.051934">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.351741" y3="-1.695835" z3="0.009701">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.437861" y3="-2.107181" z3="0.553496">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.797396" y3="-1.945143" z3="-0.48086">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.51916" y3="-0.730627" z3="1.201541">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.209327" y3="1.915063" z3="-0.025384">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.482822" y3="0.109635" z3="-0.454321">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.337191" y3="1.175713" z3="0.987521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.393159" y3="-1.395285" z3="1.283053">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.954871" y3="-0.553937" z3="-1.20495">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-1.020633" y3="-2.572809" z3="-0.155521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.771319" y3="0.012313" z3="0.345901">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-1.00636" y3="-2.424059" z3="-2.628045">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.652909" y3="-2.670359" z3="-2.027586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.135607" y3="-1.066234" z3="-2.588174">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.875803" y3="-2.626609" z3="0.316398">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.651544" y3="-2.802013" z3="0.865177">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.319168" y3="-2.285948" z3="1.17877">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.712072" y3="-2.331821" z3="-0.482149">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.280765" y3="-2.75627" z3="0.068257">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.888184" y3="-2.118276" z3="-1.552842">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.712523" y3="-0.001844" z3="1.319574">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.729492" y3="-1.264719" z3="2.13247">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.407588" y3="-0.504662" z3="2.593736">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.227081" y3="-0.179739" z3="-1.180889">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.953232" y3="1.930659" z3="1.655499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3858,-.9249,-1.3839;-3.4536,2.1773,-.1648;-4.6272,-.3428,2.0462;-.2401,2.8275,-.7505;1.1833,1.9407,.7752;-1.8619,.48,.4056;4.4486,-.6699,-.1254;3.7278,.0069,.7996;5.4402,1.2607,.228;-2.3527,-.9242,.2986;-3.7353,-.3593,-.1509;-1.3323,-1.6364,-.6316;-3.0899,1.0356,-.0044;-.1793,-.6147,-.6215;-.5471,.5866,-.1055;-4.97,-.6586,.6931;-1.8154,-1.9653,-2.0519;2.3517,-1.6958,.0097;-5.4379,-2.1072,.5535;3.7974,-1.9451,-.4809;2.5192,-.7306,1.2015;.2093,1.9151,-.0254;5.4828,.1096,-.4543;4.3372,1.1757,.9875;-2.3932,-1.3953,1.2831;-3.9549,-.5539,-1.2049;-1.0206,-2.5728,-.1555;-5.7713,.0123,.3459;-1.0064,-2.4241,-2.628;-2.6529,-2.6704,-2.0276;-2.1356,-1.0662,-2.5882;1.8758,-2.6266,.3164;-4.6515,-2.802,.8652;-6.3192,-2.2859,1.1788;-5.7121,-2.3318,-.4821;4.2808,-2.7563,.0683;3.8882,-2.1183,-1.5528;1.7125,-.0018,1.3196;2.7295,-1.2647,2.1325;-5.4076,-.5047,2.5937;6.2271,-.1797,-1.1809;3.9532,1.9307,1.6555;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.876248 0.000000 6.946998 3.552010 0.000000 4.138233 3.330538 6.092512 0.000000 3.593706 4.737135 6.371145 2.267184 0.000000 3.965271 2.395818 3.319002 3.078494 3.397526 0.000000 3.321145 8.399658 9.337745 5.882751 4.276575 6.436352 0.000000 3.334790 7.563931 8.454696 5.109017 3.196022 5.623433 1.353988 0.000000 4.879899 8.949564 10.355178 5.973107 4.345491 7.345828 2.198959 2.197974 0.000000 4.099711 3.323597 2.926639 4.431574 4.575833 1.491373 6.819312 6.171742 8.093741 0.000000 5.297722 2.552279 2.371264 4.767745 5.508182 2.126925 8.189858 7.532243 9.325109 1.559689 0.000000 2.908641 4.388899 4.438493 4.597041 4.593757 2.415607 5.882959 5.509321 7.416090 1.553631 2.763407 0.000000 5.077254 1.208948 2.910021 3.447977 4.436966 1.408811 7.729981 6.941517 8.536202 2.115686 1.543990 3.259160 0.000000 1.768297 4.327306 5.193739 3.445095 3.215189 2.254873 4.654734 4.203651 5.984732 2.380445 3.596130 1.540592 3.402373 0.000000 2.766758 3.313916 4.705414 2.351982 2.367181 1.414636 5.151352 4.407893 6.034344 2.388750 3.325868 2.415520 2.584110 1.358156 0.000000 6.691878 3.328307 1.431043 6.050467 6.680230 3.322562 9.454126 8.723819 10.595842 2.660120 1.525257 3.992988 2.625185 4.968044 4.663712 0.000000 3.431640 4.838055 5.228134 5.210168 5.678174 3.467125 6.680378 6.538127 8.261271 2.626350 3.143129 1.535897 3.850002 2.558733 3.450965 4.381169 0.000000 1.862698 6.980996 7.394844 5.268371 3.895613 4.758729 2.338299 2.327377 4.281039 4.776089 6.234110 3.739896 6.088701 2.823702 3.691325 7.426362 4.657019 0.000000 7.191225 4.775998 2.449119 7.284756 7.763623 4.416228 10.013449 9.409489 11.392129 3.313962 2.539669 4.299050 3.962509 5.591168 5.622292 1.528699 4.464391 7.819388 0.000000 2.769889 8.346987 8.940214 6.257142 4.848841 6.220480 1.475345 2.335575 3.671337 6.282839 7.704882 5.141174 7.519744 4.195672 5.042324 8.938720 5.828541 1.546843 9.294413 0.000000 2.829664 6.782137 7.206560 4.907540 3.017018 4.614398 2.342474 1.471821 3.666821 4.958647 6.409775 4.360544 6.002929 3.258605 3.584038 7.506738 5.558575 1.542770 8.101175 2.437091 0.000000 3.360827 3.674986 5.725515 1.249096 1.261022 2.556363 4.966273 4.086672 5.277722 3.838053 4.555067 3.918772 3.414470 2.627935 1.530851 5.827962 4.823244 4.198781 6.957319 5.289886 3.720262 0.000000 4.326675 9.177118 10.424494 6.342412 4.832267 7.404128 1.336228 2.159412 1.338785 7.939257 9.235027 7.037446 8.634297 5.710669 6.058797 10.543631 7.753805 3.643996 11.188891 2.657721 3.497315 5.590466 0.000000 4.329802 7.939021 9.153540 5.167264 3.252314 6.265071 2.158085 1.331470 1.341898 7.045529 8.295626 6.532403 7.494319 5.117900 5.039651 9.490780 7.547081 3.625456 10.320727 3.491027 2.642948 4.314148 2.127887 0.000000 4.649152 3.998057 2.584773 5.157760 4.917065 2.137513 7.022805 6.298056 8.338391 1.092095 2.220538 2.202137 2.837640 3.022939 3.043652 2.744242 3.432332 4.921974 3.210804 6.460395 4.957750 4.409461 8.204531 7.210754 0.000000 5.356524 2.965303 3.326617 5.043789 6.045226 2.836084 8.473356 7.959611 9.675407 2.228142 1.094125 2.894546 2.171707 3.820907 3.757982 2.155027 2.699409 6.523241 2.775601 7.909324 6.909088 4.982759 9.490723 8.749681 3.055646 0.000000 3.164729 5.336989 4.777839 5.488721 5.108353 3.215917 5.790910 5.487658 7.522310 2.167630 3.502710 1.095748 4.162381 2.181587 3.195056 4.470129 2.144072 3.488451 4.497935 4.869621 4.214900 4.655184 7.041286 6.638090 2.310819 3.713071 0.000000 7.422600 3.212441 2.079901 6.302493 7.229747 3.937773 10.253529 9.509903 11.281417 3.544854 2.128451 4.835151 2.891365 5.709662 5.275042 1.101250 5.030916 8.307522 2.155585 9.801810 8.367564 6.287006 11.282975 10.195448 3.777771 2.454641 5.431694 0.000000 3.085069 5.764514 6.268208 5.629450 5.952130 4.285809 6.252782 6.330092 7.955661 3.553533 4.224513 2.170838 4.816027 2.825596 3.954479 5.464214 1.094009 4.331843 5.464505 5.283544 5.473822 5.203818 7.297545 7.388113 4.275310 3.770447 2.477036 6.122508 0.000000 4.446573 5.254647 5.090266 6.138283 6.620716 4.058404 7.619186 7.474859 9.275734 2.924093 3.167717 2.182200 4.244839 3.510230 4.328550 4.101045 1.095052 5.490607 3.838634 6.672686 6.398447 5.764314 8.740347 8.529047 3.557192 2.617456 2.485653 4.749174 1.769842 0.000000 3.724299 4.258021 5.311174 4.704336 5.600805 3.380555 7.040928 6.856201 8.410604 2.898420 2.999841 2.190581 3.464748 2.810491 3.379154 4.355104 1.094738 5.223184 4.675312 6.357183 6.011774 4.577636 7.998529 7.727163 3.893713 2.342109 3.070950 4.794837 1.766487 1.776253 0.000000 2.455012 7.191128 7.106130 5.946608 4.642252 4.860985 3.262384 3.255558 5.274832 4.558405 6.069879 3.488702 6.178416 3.025031 4.046348 7.133030 4.435212 1.089458 7.335918 2.189186 2.189094 4.849819 4.592562 4.578918 4.546934 6.372380 2.935122 8.089700 4.125244 5.099550 5.192564 0.000000 6.710554 5.223956 2.728181 7.332263 7.519738 4.331872 9.398937 8.837819 10.897466 3.021858 2.799765 3.823150 4.233484 5.195774 5.410288 2.173806 4.153727 7.141531 1.094638 8.598292 7.471464 6.831689 10.626577 9.830291 2.693289 3.134426 3.778608 3.073105 5.062886 3.518516 4.611778 6.552723 0.000000 8.233249 5.471500 2.718608 8.174591 8.620554 5.302434 10.966206 10.312211 12.319303 4.285038 3.486590 5.344935 4.781317 6.613074 6.574007 2.168992 5.551972 8.769244 1.095275 10.257456 8.974162 7.856191 12.152892 11.206144 4.027122 3.777815 5.471481 2.505157 6.537343 4.885688 5.760187 8.247259 1.773594 0.000000 7.291937 5.053091 3.394911 7.525459 8.208601 4.849574 10.301892 9.809324 11.738123 3.725057 2.812140 4.437174 4.294633 5.794828 5.944394 2.175268 4.216965 8.103794 1.094630 9.517327 8.552883 7.301208 11.458060 10.744785 3.874045 2.602128 4.708966 2.486793 5.172727 3.444048 4.339142 7.635471 1.777945 1.768989 0.000000 3.720707 9.176912 9.438699 7.230948 5.670618 6.951202 2.102013 2.911334 4.183998 6.885703 8.369628 5.766303 8.289155 4.995395 5.874774 9.506179 6.502595 2.202063 9.752356 1.092292 2.913900 6.197316 3.151418 4.038406 6.918762 8.619572 5.309289 10.430078 5.944249 7.244016 7.147215 2.421204 8.967904 10.668319 10.016980 0.000000 2.777523 8.618660 9.413670 6.492056 5.404796 6.606777 2.109384 3.174280 4.122820 6.618370 7.948388 5.322991 7.812694 4.435333 5.392829 9.254325 5.727398 2.231738 9.560957 1.089661 3.374377 5.668769 2.951814 4.183948 6.929667 8.005105 5.124021 10.072271 5.020571 6.581495 6.201997 2.793231 8.901756 10.567870 9.662138 1.785809 0.000000 2.875379 5.800116 6.390345 4.012841 2.085652 3.720742 3.165508 2.081259 4.084244 4.291795 5.654099 3.968571 5.088439 2.778906 2.735506 6.743866 5.260072 2.234720 7.493150 3.371153 1.093490 2.782632 4.168248 2.895822 4.335854 6.228754 4.031861 7.546928 5.370581 6.114037 5.586728 2.814678 6.967694 8.351348 7.987465 3.968441 4.178943 0.000000 3.779707 7.440175 7.414751 5.820302 3.808899 5.206432 2.899479 2.095284 4.165646 5.413694 6.915711 4.927082 6.612317 4.058068 4.378571 7.856286 6.217387 2.198796 8.361134 2.903944 1.093675 4.595496 4.020095 3.138680 5.194238 7.504952 4.583606 8.779888 6.161426 6.946376 6.781819 2.425211 7.645194 9.155911 8.901401 2.981970 3.956343 1.813803 0.000000 7.883436 4.315146 0.966955 6.999268 7.261277 4.281331 10.225740 9.323905 11.242219 3.843918 3.217251 5.318980 3.807154 6.138855 5.665788 1.956389 6.051424 8.264582 2.594525 9.811210 8.051248 6.653164 11.325592 10.018198 3.405566 4.067288 5.575035 2.335021 7.093792 5.799579 6.154137 7.920650 2.972766 2.450732 3.590583 10.262161 10.305786 7.250675 8.185507 0.000000 4.902506 10.015215 11.325029 7.145136 5.810572 8.269415 2.125403 3.194323 2.163113 8.738221 10.017092 7.718000 9.469266 6.445402 6.901673 11.362910 8.284209 4.328315 11.949644 3.083839 4.441636 6.475859 1.079611 3.179770 9.047491 10.188854 7.701137 12.096676 7.710636 9.261442 8.526481 5.211781 11.375728 12.938798 12.151670 3.462228 3.060509 5.163836 4.938488 12.235967 0.000000 4.897366 7.631251 8.885125 4.917028 2.906496 6.122275 3.190604 2.117598 2.167399 7.053846 8.223173 6.774302 7.291203 5.361078 5.016047 9.340993 7.886731 4.292422 10.281595 4.428336 3.056973 4.103953 3.179169 1.078685 7.174768 8.768893 6.949846 9.998100 7.868283 8.852999 8.004005 5.184361 9.852156 11.114372 10.777587 4.959226 5.166388 2.977952 3.454777 9.717820 4.203482 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5037045 0.1230617 0.1111332</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.385793" y3="-0.924902" z3="-1.383957">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.453638" y3="2.177331" z3="-0.164806">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.627205" y3="-0.342808" z3="2.04617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.240093" y3="2.827452" z3="-0.750521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="1.183262" y3="1.940706" z3="0.775213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.861872" y3="0.4800" z3="0.405538">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.448624" y3="-0.66993" z3="-0.125352">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.727744" y3="0.006918" z3="0.799577">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.44019" y3="1.2607" z3="0.228043">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.352738" y3="-0.924211" z3="0.298604">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.735298" y3="-0.359321" z3="-0.150902">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.332283" y3="-1.636378" z3="-0.631589">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.089877" y3="1.035623" z3="-0.004382">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.179255" y3="-0.614688" z3="-0.621549">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.547094" y3="0.586566" z3="-0.105535">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.969989" y3="-0.658551" z3="0.693141">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.815379" y3="-1.965317" z3="-2.05194">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.35174" y3="-1.695837" z3="0.009689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.437856" y3="-2.107181" z3="0.553516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.797398" y3="-1.945138" z3="-0.480868">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.519148" y3="-0.730633" z3="1.201533">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.209332" y3="1.915063" z3="-0.025398">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.482823" y3="0.10964" z3="-0.454299">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.337182" y3="1.175707" z3="0.987544">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.39315" y3="-1.395281" z3="1.283049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.954877" y3="-0.553946" z3="-1.20495">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-1.020631" y3="-2.572809" z3="-0.155529">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.771316" y3="0.012312" z3="0.34591">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-1.006366" y3="-2.424061" z3="-2.628054">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.652914" y3="-2.670359" z3="-2.027589">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.135611" y3="-1.066235" z3="-2.58818">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.875804" y3="-2.626614" z3="0.31638">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.651537" y3="-2.802011" z3="0.865196">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.31916" y3="-2.285944" z3="1.178796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.712074" y3="-2.331827" z3="-0.482126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.280766" y3="-2.756267" z3="0.068245">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.888191" y3="-2.118262" z3="-1.55285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.712508" y3="-0.001853" z3="1.319563">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.729474" y3="-1.264728" z3="2.132463">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.407571" y3="-0.504648" z3="2.593745">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.227087" y3="-0.179727" z3="-1.180864">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.953221" y3="1.930647" z3="1.655526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3858,-.9249,-1.384;-3.4536,2.1773,-.1648;-4.6272,-.3428,2.0462;-.2401,2.8275,-.7505;1.1833,1.9407,.7752;-1.8619,.48,.4055;4.4486,-.6699,-.1254;3.7277,.0069,.7996;5.4402,1.2607,.228;-2.3527,-.9242,.2986;-3.7353,-.3593,-.1509;-1.3323,-1.6364,-.6316;-3.0899,1.0356,-.0044;-.1793,-.6147,-.6215;-.5471,.5866,-.1055;-4.97,-.6586,.6931;-1.8154,-1.9653,-2.0519;2.3517,-1.6958,.0097;-5.4379,-2.1072,.5535;3.7974,-1.9451,-.4809;2.5191,-.7306,1.2015;.2093,1.9151,-.0254;5.4828,.1096,-.4543;4.3372,1.1757,.9875;-2.3931,-1.3953,1.283;-3.9549,-.5539,-1.2049;-1.0206,-2.5728,-.1555;-5.7713,.0123,.3459;-1.0064,-2.4241,-2.6281;-2.6529,-2.6704,-2.0276;-2.1356,-1.0662,-2.5882;1.8758,-2.6266,.3164;-4.6515,-2.802,.8652;-6.3192,-2.2859,1.1788;-5.7121,-2.3318,-.4821;4.2808,-2.7563,.0682;3.8882,-2.1183,-1.5529;1.7125,-.0019,1.3196;2.7295,-1.2647,2.1325;-5.4076,-.5046,2.5937;6.2271,-.1797,-1.1809;3.9532,1.9306,1.6555;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.876247 0.000000 6.946995 3.552010 0.000000 4.138225 3.330554 6.092518 0.000000 3.593709 4.737137 6.371129 2.267184 0.000000 3.965271 2.395818 3.318998 3.078501 3.397523 0.000000 3.321149 8.399654 9.337729 5.882736 4.276567 6.436345 0.000000 3.334794 7.563926 8.454672 5.109006 3.196016 5.623423 1.353988 0.000000 4.879912 8.949565 10.355156 5.973099 4.345485 7.345822 2.198959 2.197974 0.000000 4.099711 3.323597 2.926638 4.431581 4.575828 1.491373 6.819305 6.171729 8.093735 0.000000 5.297724 2.552279 2.371264 4.767758 5.508180 2.126925 8.189854 7.532234 9.325108 1.559689 0.000000 2.908641 4.388897 4.438494 4.597043 4.593755 2.415606 5.882957 5.509314 7.416092 1.553631 2.763407 0.000000 5.077254 1.208948 2.910020 3.447991 4.436965 1.408811 7.729977 6.941509 8.536201 2.115686 1.543990 3.259159 0.000000 1.768297 4.327305 5.193736 3.445093 3.215188 2.254872 4.654732 4.203646 5.984735 2.380444 3.596132 1.540592 3.402373 0.000000 2.766758 3.313917 4.705409 2.351983 2.367180 1.414636 5.151346 4.407886 6.034343 2.388750 3.325869 2.415520 2.584111 1.358156 0.000000 6.691879 3.328307 1.431043 6.050479 6.680223 3.322560 9.454117 8.723804 10.595833 2.660120 1.525257 3.992989 2.625184 4.968045 4.663711 0.000000 3.431642 4.838048 5.228135 5.210168 5.678174 3.467122 6.680382 6.538125 8.261283 2.626350 3.143129 1.535897 3.849997 2.558734 3.450963 4.381172 0.000000 1.862698 6.980996 7.394837 5.268364 3.895615 4.758728 2.338299 2.327378 4.281041 4.776086 6.234108 3.739893 6.088700 2.823700 3.691325 7.426358 4.657018 0.000000 7.191229 4.775997 2.449119 7.284768 7.763616 4.416227 10.013443 9.409474 11.392122 3.313963 2.539670 4.299053 3.962508 5.591171 5.622293 1.528699 4.464399 7.819384 0.000000 2.769890 8.346985 8.940207 6.257128 4.848837 6.220478 1.475344 2.335576 3.671337 6.282837 7.704882 5.141174 7.519742 4.195671 5.042322 8.938718 5.828545 1.546843 9.294414 0.000000 2.829664 6.782132 7.206537 4.907534 3.017017 4.614388 2.342474 1.471820 3.666821 4.958632 6.409762 4.360531 6.002921 3.258597 3.584031 7.506719 5.558566 1.542770 8.101156 2.437092 0.000000 3.360825 3.674992 5.725509 1.249096 1.261021 2.556364 4.966264 4.086664 5.277717 3.838054 4.555071 3.918772 3.414474 2.627934 1.530851 5.827963 4.823243 4.198779 6.957321 5.289879 3.720257 0.000000 4.326685 9.177118 10.424477 6.342398 4.832259 7.404123 1.336228 2.159412 1.338785 7.939253 9.235028 7.037449 8.634295 5.710670 6.058795 10.543625 7.753816 3.643997 11.188888 2.657720 3.497315 5.590458 0.000000 4.329813 7.939020 9.153514 5.167260 3.252310 6.265063 2.158085 1.331470 1.341898 7.045519 8.295620 6.532400 7.494315 5.117900 5.039649 9.490765 7.547086 3.625459 10.320713 3.491027 2.642948 4.314145 2.127887 0.000000 4.649149 3.998059 2.584773 5.157764 4.917055 2.137513 7.022791 6.298036 8.338374 1.092095 2.220539 2.202136 2.837641 3.022937 3.043650 2.744242 3.432333 4.921967 3.210803 6.460389 4.957729 4.409458 8.204518 7.210733 0.000000 5.356529 2.965302 3.326617 5.043806 6.045230 2.836086 8.473359 7.959609 9.675417 2.228142 1.094125 2.894547 2.171709 3.820912 3.757987 2.155027 2.699409 6.523241 2.775601 7.909328 6.909079 4.982769 9.490733 8.749684 3.055646 0.000000 3.164728 5.336988 4.777841 5.488722 5.108350 3.215917 5.790907 5.487648 7.522308 2.167631 3.502709 1.095748 4.162380 2.181588 3.195057 4.470130 2.144072 3.488446 4.497937 4.869621 4.214886 4.655183 7.041286 6.638083 2.310820 3.713070 0.000000 7.422602 3.212440 2.079901 6.302507 7.229741 3.937771 10.253522 9.509889 11.281411 3.544854 2.128450 4.835152 2.891364 5.709663 5.275042 1.101250 5.030918 8.307518 2.155585 9.801809 8.367548 6.287008 11.282972 10.195436 3.777771 2.454641 5.431695 0.000000 3.085073 5.764507 6.268210 5.629449 5.952133 4.285807 6.252792 6.330096 7.955679 3.553533 4.224512 2.170838 4.816024 2.825598 3.954479 5.464217 1.094009 4.331844 5.464513 5.283552 5.473818 5.203819 7.297563 7.388125 4.275311 3.770447 2.477036 6.122509 0.000000 4.446575 5.254638 5.090269 6.138284 6.620714 4.058400 7.619190 7.474856 9.275744 2.924092 3.167714 2.182200 4.244833 3.510230 4.328548 4.101046 1.095052 5.490606 3.838643 6.672691 6.398437 5.764313 8.740357 8.529050 3.557194 2.617450 2.485654 4.749174 1.769841 0.000000 3.724300 4.258011 5.311175 4.704336 5.600805 3.380550 7.040932 6.856201 8.410618 2.898420 2.999842 2.190581 3.464742 2.810490 3.379151 4.355109 1.094738 5.223183 4.675323 6.357187 6.011766 4.577635 7.998541 7.727170 3.893714 2.342113 3.070950 4.794841 1.766487 1.776253 0.000000 2.455012 7.191133 7.106129 5.946607 4.642257 4.860990 3.262383 3.255557 5.274832 4.558406 6.069880 3.488701 6.178419 3.025034 4.046354 7.133030 4.435210 1.089458 7.335917 2.189186 2.189094 4.849822 4.592561 4.578918 4.546933 6.372381 2.935120 8.089700 4.125242 5.099548 5.192562 0.000000 6.710557 5.223956 2.728181 7.332273 7.519730 4.331871 9.398930 8.837802 10.897455 3.021859 2.799765 3.823155 4.233484 5.195777 5.410289 2.173806 4.153736 7.141526 1.094638 8.598291 7.471442 6.831690 10.626572 9.830274 2.693288 3.134427 3.778610 3.073105 5.062895 3.518528 4.611790 6.552721 0.000000 8.233252 5.471500 2.718608 8.174603 8.620544 5.302432 10.966197 10.312192 12.319291 4.285038 3.486591 5.344939 4.781316 6.613075 6.574007 2.168992 5.551981 8.769238 1.095275 10.257454 8.974140 7.856191 12.152886 11.206125 4.027121 3.777816 5.471483 2.505157 6.537351 4.885698 5.760198 8.247257 1.773594 0.000000 7.291944 5.053091 3.394911 7.525475 8.208599 4.849574 10.301892 9.809315 11.738125 3.725058 2.812140 4.437179 4.294633 5.794833 5.944397 2.175268 4.216974 8.103793 1.094630 9.517331 8.552868 7.301213 11.458065 10.744779 3.874044 2.602129 4.708968 2.486793 5.172736 3.444056 4.339156 7.635471 1.777945 1.768989 0.000000 3.720707 9.176912 9.438693 7.230938 5.670617 6.951201 2.102013 2.911336 4.183996 6.885701 8.369628 5.766302 8.289155 4.995395 5.874774 9.506176 6.502598 2.202063 9.752355 1.092292 2.913904 6.197312 3.151415 4.038405 6.918757 8.619574 5.309288 10.430076 5.944254 7.244020 7.147216 2.421203 8.967902 10.668316 10.016982 0.000000 2.777522 8.618656 9.413668 6.492037 5.404788 6.606775 2.109384 3.174279 4.122822 6.618371 7.948391 5.322995 7.812693 4.435332 5.392825 9.254328 5.727407 2.231737 9.560965 1.089661 3.374377 5.668758 2.951815 4.183949 6.929666 8.005113 5.124026 10.072274 5.020584 6.581507 6.202004 2.793232 8.901765 10.567877 9.662150 1.785809 0.000000 2.875375 5.800108 6.390318 4.012837 2.085654 3.720728 3.165507 2.081259 4.084246 4.291774 5.654082 3.968553 5.088427 2.778894 2.735497 6.743843 5.260058 2.234719 7.493126 3.371153 1.093489 2.782629 4.168248 2.895825 4.335827 6.228741 4.031843 7.546908 5.370572 6.114021 5.586714 2.814678 6.967668 8.351322 7.987445 3.968444 4.178940 0.000000 3.779705 7.440167 7.414722 5.820297 3.808898 5.206419 2.899481 2.095283 4.165643 5.413674 6.915692 4.927065 6.612304 4.058059 4.378564 7.856260 6.217374 2.198797 8.361105 2.903948 1.093675 4.595492 4.020095 3.138676 5.194210 7.504937 4.583586 8.779865 6.161418 6.946361 6.781808 2.425210 7.645163 9.155880 8.901377 2.981978 3.956347 1.813802 0.000000 7.883433 4.315144 0.966955 6.999274 7.261260 4.281327 10.225722 9.323879 11.242194 3.843918 3.217251 5.318982 3.807152 6.138853 5.665783 1.956389 6.051428 8.264574 2.594525 9.811203 8.051223 6.653157 11.325573 10.018168 3.405567 4.067288 5.575038 2.335021 7.093795 5.799584 6.154141 7.920649 2.972767 2.450732 3.590583 10.262155 10.305784 7.250646 8.185475 0.000000 4.902516 10.015216 11.325017 7.145121 5.810564 8.269412 2.125403 3.194323 2.163113 8.738220 10.017096 7.718006 9.469267 6.445406 6.901672 11.362909 8.284225 4.328317 11.949647 3.083839 4.441636 6.475850 1.079611 3.179770 9.047482 10.188868 7.701141 12.096677 7.710658 9.261458 8.526497 5.211781 11.375729 12.938797 12.151681 3.462224 3.060511 5.163836 4.938488 12.235952 0.000000 4.897378 7.631253 8.885095 4.917032 2.906497 6.122267 3.190604 2.117598 2.167398 7.053834 8.223166 6.774298 7.291200 5.361079 5.016047 9.340975 7.886735 4.292425 10.281576 4.428337 3.056974 4.103956 3.179169 1.078685 7.174745 8.768896 6.949837 9.998086 7.868294 8.853000 8.004013 5.184362 9.852134 11.114348 10.777577 4.959225 5.166389 2.977957 3.454772 9.717785 4.203482 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5037032 0.1230618 0.1111334</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="S" id="a1" x3="1.385793" y3="-0.924902" z3="-1.383957">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="-3.453638" y3="2.177331" z3="-0.164806">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="-4.627205" y3="-0.342808" z3="2.04617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="-0.240093" y3="2.827452" z3="-0.750521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="1.183262" y3="1.940706" z3="0.775213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-1.861872" y3="0.4800" z3="0.405538">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="4.448624" y3="-0.66993" z3="-0.125352">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="3.727744" y3="0.006918" z3="0.799577">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a9" x3="5.44019" y3="1.2607" z3="0.228043">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-2.352738" y3="-0.924211" z3="0.298604">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-3.735298" y3="-0.359321" z3="-0.150902">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-1.332283" y3="-1.636378" z3="-0.631589">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-3.089877" y3="1.035623" z3="-0.004382">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-0.179255" y3="-0.614688" z3="-0.621549">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-0.547094" y3="0.586566" z3="-0.105535">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-4.969989" y3="-0.658551" z3="0.693141">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="-1.815379" y3="-1.965317" z3="-2.05194">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="2.35174" y3="-1.695837" z3="0.009689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-5.437856" y3="-2.107181" z3="0.553516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.797398" y3="-1.945138" z3="-0.480868">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="2.519148" y3="-0.730633" z3="1.201533">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.209332" y3="1.915063" z3="-0.025398">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="5.482823" y3="0.10964" z3="-0.454299">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="4.337182" y3="1.175707" z3="0.987544">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-2.39315" y3="-1.395281" z3="1.283049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-3.954877" y3="-0.553946" z3="-1.20495">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-1.020631" y3="-2.572809" z3="-0.155529">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a28" x3="-5.771316" y3="0.012312" z3="0.34591">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-1.006366" y3="-2.424061" z3="-2.628054">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-2.652914" y3="-2.670359" z3="-2.027589">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-2.135611" y3="-1.066235" z3="-2.58818">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="1.875804" y3="-2.626614" z3="0.31638">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-4.651537" y3="-2.802011" z3="0.865196">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-6.31916" y3="-2.285944" z3="1.178796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.712074" y3="-2.331827" z3="-0.482126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="4.280766" y3="-2.756267" z3="0.068245">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.888191" y3="-2.118262" z3="-1.55285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="1.712508" y3="-0.001853" z3="1.319563">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="2.729474" y3="-1.264728" z3="2.132463">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-5.407571" y3="-0.504648" z3="2.593745">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="6.227087" y3="-0.179727" z3="-1.180864">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.953221" y3="1.930647" z3="1.655526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H18N4O4S"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">332.2498999999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3858,-.9249,-1.384;-3.4536,2.1773,-.1648;-4.6272,-.3428,2.0462;-.2401,2.8275,-.7505;1.1833,1.9407,.7752;-1.8619,.48,.4055;4.4486,-.6699,-.1254;3.7277,.0069,.7996;5.4402,1.2607,.228;-2.3527,-.9242,.2986;-3.7353,-.3593,-.1509;-1.3323,-1.6364,-.6316;-3.0899,1.0356,-.0044;-.1793,-.6147,-.6215;-.5471,.5866,-.1055;-4.97,-.6586,.6931;-1.8154,-1.9653,-2.0519;2.3517,-1.6958,.0097;-5.4379,-2.1072,.5535;3.7974,-1.9451,-.4809;2.5191,-.7306,1.2015;.2093,1.9151,-.0254;5.4828,.1096,-.4543;4.3372,1.1757,.9875;-2.3931,-1.3953,1.283;-3.9549,-.5539,-1.2049;-1.0206,-2.5728,-.1555;-5.7713,.0123,.3459;-1.0064,-2.4241,-2.6281;-2.6529,-2.6704,-2.0276;-2.1356,-1.0662,-2.5882;1.8758,-2.6266,.3164;-4.6515,-2.802,.8652;-6.3192,-2.2859,1.1788;-5.7121,-2.3318,-.4821;4.2808,-2.7563,.0682;3.8882,-2.1183,-1.5529;1.7125,-.0019,1.3196;2.7295,-1.2647,2.1325;-5.4076,-.5046,2.5937;6.2271,-.1797,-1.1809;3.9532,1.9306,1.6555;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.876247 0.000000 6.946995 3.552010 0.000000 4.138225 3.330554 6.092518 0.000000 3.593709 4.737137 6.371129 2.267184 0.000000 3.965271 2.395818 3.318998 3.078501 3.397523 0.000000 3.321149 8.399654 9.337729 5.882736 4.276567 6.436345 0.000000 3.334794 7.563926 8.454672 5.109006 3.196016 5.623423 1.353988 0.000000 4.879912 8.949565 10.355156 5.973099 4.345485 7.345822 2.198959 2.197974 0.000000 4.099711 3.323597 2.926638 4.431581 4.575828 1.491373 6.819305 6.171729 8.093735 0.000000 5.297724 2.552279 2.371264 4.767758 5.508180 2.126925 8.189854 7.532234 9.325108 1.559689 0.000000 2.908641 4.388897 4.438494 4.597043 4.593755 2.415606 5.882957 5.509314 7.416092 1.553631 2.763407 0.000000 5.077254 1.208948 2.910020 3.447991 4.436965 1.408811 7.729977 6.941509 8.536201 2.115686 1.543990 3.259159 0.000000 1.768297 4.327305 5.193736 3.445093 3.215188 2.254872 4.654732 4.203646 5.984735 2.380444 3.596132 1.540592 3.402373 0.000000 2.766758 3.313917 4.705409 2.351983 2.367180 1.414636 5.151346 4.407886 6.034343 2.388750 3.325869 2.415520 2.584111 1.358156 0.000000 6.691879 3.328307 1.431043 6.050479 6.680223 3.322560 9.454117 8.723804 10.595833 2.660120 1.525257 3.992989 2.625184 4.968045 4.663711 0.000000 3.431642 4.838048 5.228135 5.210168 5.678174 3.467122 6.680382 6.538125 8.261283 2.626350 3.143129 1.535897 3.849997 2.558734 3.450963 4.381172 0.000000 1.862698 6.980996 7.394837 5.268364 3.895615 4.758728 2.338299 2.327378 4.281041 4.776086 6.234108 3.739893 6.088700 2.823700 3.691325 7.426358 4.657018 0.000000 7.191229 4.775997 2.449119 7.284768 7.763616 4.416227 10.013443 9.409474 11.392122 3.313963 2.539670 4.299053 3.962508 5.591171 5.622293 1.528699 4.464399 7.819384 0.000000 2.769890 8.346985 8.940207 6.257128 4.848837 6.220478 1.475344 2.335576 3.671337 6.282837 7.704882 5.141174 7.519742 4.195671 5.042322 8.938718 5.828545 1.546843 9.294414 0.000000 2.829664 6.782132 7.206537 4.907534 3.017017 4.614388 2.342474 1.471820 3.666821 4.958632 6.409762 4.360531 6.002921 3.258597 3.584031 7.506719 5.558566 1.542770 8.101156 2.437092 0.000000 3.360825 3.674992 5.725509 1.249096 1.261021 2.556364 4.966264 4.086664 5.277717 3.838054 4.555071 3.918772 3.414474 2.627934 1.530851 5.827963 4.823243 4.198779 6.957321 5.289879 3.720257 0.000000 4.326685 9.177118 10.424477 6.342398 4.832259 7.404123 1.336228 2.159412 1.338785 7.939253 9.235028 7.037449 8.634295 5.710670 6.058795 10.543625 7.753816 3.643997 11.188888 2.657720 3.497315 5.590458 0.000000 4.329813 7.939020 9.153514 5.167260 3.252310 6.265063 2.158085 1.331470 1.341898 7.045519 8.295620 6.532400 7.494315 5.117900 5.039649 9.490765 7.547086 3.625459 10.320713 3.491027 2.642948 4.314145 2.127887 0.000000 4.649149 3.998059 2.584773 5.157764 4.917055 2.137513 7.022791 6.298036 8.338374 1.092095 2.220539 2.202136 2.837641 3.022937 3.043650 2.744242 3.432333 4.921967 3.210803 6.460389 4.957729 4.409458 8.204518 7.210733 0.000000 5.356529 2.965302 3.326617 5.043806 6.045230 2.836086 8.473359 7.959609 9.675417 2.228142 1.094125 2.894547 2.171709 3.820912 3.757987 2.155027 2.699409 6.523241 2.775601 7.909328 6.909079 4.982769 9.490733 8.749684 3.055646 0.000000 3.164728 5.336988 4.777841 5.488722 5.108350 3.215917 5.790907 5.487648 7.522308 2.167631 3.502709 1.095748 4.162380 2.181588 3.195057 4.470130 2.144072 3.488446 4.497937 4.869621 4.214886 4.655183 7.041286 6.638083 2.310820 3.713070 0.000000 7.422602 3.212440 2.079901 6.302507 7.229741 3.937771 10.253522 9.509889 11.281411 3.544854 2.128450 4.835152 2.891364 5.709663 5.275042 1.101250 5.030918 8.307518 2.155585 9.801809 8.367548 6.287008 11.282972 10.195436 3.777771 2.454641 5.431695 0.000000 3.085073 5.764507 6.268210 5.629449 5.952133 4.285807 6.252792 6.330096 7.955679 3.553533 4.224512 2.170838 4.816024 2.825598 3.954479 5.464217 1.094009 4.331844 5.464513 5.283552 5.473818 5.203819 7.297563 7.388125 4.275311 3.770447 2.477036 6.122509 0.000000 4.446575 5.254638 5.090269 6.138284 6.620714 4.058400 7.619190 7.474856 9.275744 2.924092 3.167714 2.182200 4.244833 3.510230 4.328548 4.101046 1.095052 5.490606 3.838643 6.672691 6.398437 5.764313 8.740357 8.529050 3.557194 2.617450 2.485654 4.749174 1.769841 0.000000 3.724300 4.258011 5.311175 4.704336 5.600805 3.380550 7.040932 6.856201 8.410618 2.898420 2.999842 2.190581 3.464742 2.810490 3.379151 4.355109 1.094738 5.223183 4.675323 6.357187 6.011766 4.577635 7.998541 7.727170 3.893714 2.342113 3.070950 4.794841 1.766487 1.776253 0.000000 2.455012 7.191133 7.106129 5.946607 4.642257 4.860990 3.262383 3.255557 5.274832 4.558406 6.069880 3.488701 6.178419 3.025034 4.046354 7.133030 4.435210 1.089458 7.335917 2.189186 2.189094 4.849822 4.592561 4.578918 4.546933 6.372381 2.935120 8.089700 4.125242 5.099548 5.192562 0.000000 6.710557 5.223956 2.728181 7.332273 7.519730 4.331871 9.398930 8.837802 10.897455 3.021859 2.799765 3.823155 4.233484 5.195777 5.410289 2.173806 4.153736 7.141526 1.094638 8.598291 7.471442 6.831690 10.626572 9.830274 2.693288 3.134427 3.778610 3.073105 5.062895 3.518528 4.611790 6.552721 0.000000 8.233252 5.471500 2.718608 8.174603 8.620544 5.302432 10.966197 10.312192 12.319291 4.285038 3.486591 5.344939 4.781316 6.613075 6.574007 2.168992 5.551981 8.769238 1.095275 10.257454 8.974140 7.856191 12.152886 11.206125 4.027121 3.777816 5.471483 2.505157 6.537351 4.885698 5.760198 8.247257 1.773594 0.000000 7.291944 5.053091 3.394911 7.525475 8.208599 4.849574 10.301892 9.809315 11.738125 3.725058 2.812140 4.437179 4.294633 5.794833 5.944397 2.175268 4.216974 8.103793 1.094630 9.517331 8.552868 7.301213 11.458065 10.744779 3.874044 2.602129 4.708968 2.486793 5.172736 3.444056 4.339156 7.635471 1.777945 1.768989 0.000000 3.720707 9.176912 9.438693 7.230938 5.670617 6.951201 2.102013 2.911336 4.183996 6.885701 8.369628 5.766302 8.289155 4.995395 5.874774 9.506176 6.502598 2.202063 9.752355 1.092292 2.913904 6.197312 3.151415 4.038405 6.918757 8.619574 5.309288 10.430076 5.944254 7.244020 7.147216 2.421203 8.967902 10.668316 10.016982 0.000000 2.777522 8.618656 9.413668 6.492037 5.404788 6.606775 2.109384 3.174279 4.122822 6.618371 7.948391 5.322995 7.812693 4.435332 5.392825 9.254328 5.727407 2.231737 9.560965 1.089661 3.374377 5.668758 2.951815 4.183949 6.929666 8.005113 5.124026 10.072274 5.020584 6.581507 6.202004 2.793232 8.901765 10.567877 9.662150 1.785809 0.000000 2.875375 5.800108 6.390318 4.012837 2.085654 3.720728 3.165507 2.081259 4.084246 4.291774 5.654082 3.968553 5.088427 2.778894 2.735497 6.743843 5.260058 2.234719 7.493126 3.371153 1.093489 2.782629 4.168248 2.895825 4.335827 6.228741 4.031843 7.546908 5.370572 6.114021 5.586714 2.814678 6.967668 8.351322 7.987445 3.968444 4.178940 0.000000 3.779705 7.440167 7.414722 5.820297 3.808898 5.206419 2.899481 2.095283 4.165643 5.413674 6.915692 4.927065 6.612304 4.058059 4.378564 7.856260 6.217374 2.198797 8.361105 2.903948 1.093675 4.595492 4.020095 3.138676 5.194210 7.504937 4.583586 8.779865 6.161418 6.946361 6.781808 2.425210 7.645163 9.155880 8.901377 2.981978 3.956347 1.813802 0.000000 7.883433 4.315144 0.966955 6.999274 7.261260 4.281327 10.225722 9.323879 11.242194 3.843918 3.217251 5.318982 3.807152 6.138853 5.665783 1.956389 6.051428 8.264574 2.594525 9.811203 8.051223 6.653157 11.325573 10.018168 3.405567 4.067288 5.575038 2.335021 7.093795 5.799584 6.154141 7.920649 2.972767 2.450732 3.590583 10.262155 10.305784 7.250646 8.185475 0.000000 4.902516 10.015216 11.325017 7.145121 5.810564 8.269412 2.125403 3.194323 2.163113 8.738220 10.017096 7.718006 9.469267 6.445406 6.901672 11.362909 8.284225 4.328317 11.949647 3.083839 4.441636 6.475850 1.079611 3.179770 9.047482 10.188868 7.701141 12.096677 7.710658 9.261458 8.526497 5.211781 11.375729 12.938797 12.151681 3.462224 3.060511 5.163836 4.938488 12.235952 0.000000 4.897378 7.631253 8.885095 4.917032 2.906497 6.122267 3.190604 2.117598 2.167398 7.053834 8.223166 6.774298 7.291200 5.361079 5.016047 9.340975 7.886735 4.292425 10.281576 4.428337 3.056974 4.103956 3.179169 1.078685 7.174745 8.768896 6.949837 9.998086 7.868294 8.853000 8.004013 5.184362 9.852134 11.114348 10.777577 4.959225 5.166389 2.977957 3.454772 9.717785 4.203482 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5037032 0.1230618 0.1111334</array>
                  </module>
               </module>
               <module cmlx:templateRef="l716.forces">
                  <list cmlx:templateRef="force">
                     <array dataType="xsd:integer" dictRef="x:serial" size="42">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</array>
                     <array dataType="xsd:integer" dictRef="x:elementType" size="42">16 8 8 8 8 7 7 7 7 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</array>
                     <list>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.012730340 0.004685020 -0.021332611</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.002130269 0.003690851 0.003166712</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.005081336 0.005854577 0.005560375</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.005450961 -0.003656850 0.009400970</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.004643167 -0.001912647 -0.005996317</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.011830973 0.008008385 0.020000878</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.034312195 0.056594258 0.041839547</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.018084980 0.005082644 -0.011802109</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.004168279 -0.029501806 -0.033224580</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.005340868 0.003826955 0.021744845</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.010246467 0.003407349 -0.012646533</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.005818302 -0.013850634 -0.002244647</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.023346643 -0.006604823 -0.012515903</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.010073488 -0.012129245 0.006729931</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.032681928 0.024162276 -0.007636763</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.011807147 -0.018044868 0.013962410</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001403320 -0.005886983 -0.008429412</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.004153259 -0.000107416 0.001687655</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000311808 -0.005025829 -0.002571038</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.020316333 -0.017741240 0.000958832</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002820075 -0.018844490 0.004506926</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001572540 0.012055920 -0.001883302</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.023716304 0.029956257 0.050858901</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.015422941 -0.025238910 -0.038542080</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.002797603 0.001399394 -0.003853527</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000227513 0.001709417 0.002886479</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.002938911 -0.002252065 -0.000062447</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001401128 0.001866608 -0.008136940</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000589693 0.000597604 -0.000302646</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000778893 -0.000961319 -0.000257688</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000757559 0.000217787 0.000169314</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002886480 0.002290218 0.002685228</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000963129 0.001149204 -0.000868057</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001435746 0.000476786 -0.001541607</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001748181 -0.000951006 0.000194313</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001082770 -0.000410714 -0.002890111</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000691256 0.001515896 0.002135143</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.003620599 -0.000975939 -0.005931037</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.005279987 -0.000285418 0.000852673</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.004979818 0.000902621 -0.003839048</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001815327 -0.003463211 -0.002434982</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.002052038 -0.001604610 -0.000397748</array>
                     </list>
                  </list>
                  <list cmlx:templateRef="cartesianforce">
                     <scalar dataType="xsd:double" dictRef="cc:maxforce">0.056594258</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:rmsforce">0.013437804</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l401"/>
               <module cmlx:templateRef="l50X">
                  <scalar dataType="xsd:integer" dictRef="cc:ncycle">2</scalar>
                  <scalar dataType="xsd:double" dictRef="g:rbhflyp" units="nonsi:hartree">-1500.48534509</scalar>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:jobtime">
                  <scalar dataType="xsd:string">PT65637.600S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:date">2021-10-17T00:26:54.000</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="42">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="42">S O O O O N N N N 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</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="42">0.100709 -0.515988 -0.580840 -0.633123 -0.635014 -0.474200 -0.190359 -0.222890 -0.482936 0.071615 -0.200839 -0.100737 0.561066 -0.222991 0.268314 0.181356 -0.317315 -0.298362 -0.335367 -0.060479 -0.046015 0.468354 0.321766 0.360037 0.127471 0.147909 0.115209 0.105967 0.116646 0.115085 0.112886 0.198653 0.117423 0.110871 0.111608 0.208905 0.212582 0.200665 0.194601 0.331606 0.228033 0.228117</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">-0.00000</scalar>
                  </module>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal">
                     <array dataType="xsd:double" dictRef="g:alphaocc" size="87">-14.48594 -14.48296 -14.37886 -14.36502 -10.30978 -10.30704 -10.29960 -10.27932 -10.26853 -10.26092 -10.25860 -10.24542 -10.23278 -10.22586 -10.20898 -10.20437 -10.20430 -10.17904 -10.17782 -7.95019 -5.91559 -5.91173 -5.90491 -1.16636 -1.05185 -1.02171 -1.01283 -0.97942 -0.97511 -0.92721 -0.92424 -0.85448 -0.82323 -0.79478 -0.76360 -0.75841 -0.74327 -0.69860 -0.69151 -0.67472 -0.65488 -0.64148 -0.60766 -0.60159 -0.57538 -0.56462 -0.56185 -0.55246 -0.51518 -0.50914 -0.49412 -0.48353 -0.48169 -0.48124 -0.47595 -0.47347 -0.46364 -0.45308 -0.44506 -0.43575 -0.43057 -0.42038 -0.40926 -0.40626 -0.39944 -0.39377 -0.39308 -0.38448 -0.38380 -0.37612 -0.36448 -0.36069 -0.35748 -0.34249 -0.34021 -0.33513 -0.33309 -0.32801 -0.31995 -0.30245 -0.27761 -0.26585 -0.24633 -0.23871 -0.23526 -0.22406 -0.20590</array>
                     <array dataType="xsd:double" dictRef="g:alphavirt" size="362">-0.05944 -0.02084 -0.00226 0.00864 0.04127 0.06596 0.06962 0.07350 0.07844 0.08491 0.08943 0.10382 0.11304 0.11742 0.12028 0.12887 0.13194 0.14282 0.14403 0.14929 0.15334 0.15479 0.16237 0.16598 0.17172 0.17610 0.18162 0.18663 0.19457 0.19625 0.20917 0.21470 0.21517 0.22403 0.23038 0.23705 0.24804 0.25402 0.25939 0.27825 0.28840 0.29455 0.30125 0.32361 0.33278 0.35996 0.36112 0.36759 0.37439 0.38392 0.40797 0.43195 0.44497 0.45125 0.45383 0.46063 0.48177 0.48755 0.50554 0.51224 0.52183 0.52754 0.53268 0.53538 0.54395 0.55239 0.56150 0.56841 0.57065 0.58043 0.58937 0.59002 0.59853 0.60219 0.60673 0.61049 0.62704 0.63096 0.63633 0.64436 0.64569 0.66876 0.67961 0.68354 0.69000 0.69540 0.70280 0.71903 0.72298 0.73201 0.73415 0.74174 0.74602 0.75159 0.76232 0.77190 0.77851 0.78394 0.78527 0.79809 0.80292 0.81280 0.82180 0.82402 0.84104 0.84418 0.84839 0.85366 0.85562 0.85950 0.86723 0.87177 0.87771 0.88469 0.89272 0.89975 0.90164 0.90702 0.91312 0.92047 0.92458 0.93162 0.93415 0.94486 0.94587 0.96094 0.96288 0.97877 0.98543 0.99391 1.00131 1.00649 1.01383 1.02052 1.03491 1.03826 1.04594 1.05176 1.07765 1.08490 1.11730 1.12885 1.13644 1.14306 1.16751 1.17571 1.18287 1.19857 1.20834 1.23219 1.24115 1.25365 1.27533 1.28610 1.29024 1.31576 1.32111 1.35093 1.36049 1.37347 1.37887 1.39460 1.40354 1.43319 1.43783 1.45420 1.47767 1.48267 1.49912 1.51100 1.52208 1.53583 1.54288 1.56491 1.59172 1.61994 1.62832 1.64074 1.64936 1.65828 1.66429 1.67841 1.68376 1.70310 1.71324 1.71884 1.72237 1.72830 1.73154 1.74347 1.75032 1.75687 1.77687 1.78637 1.79010 1.79583 1.80546 1.81375 1.82571 1.83618 1.84200 1.85118 1.86245 1.87048 1.88157 1.89264 1.90101 1.90406 1.90955 1.91337 1.93156 1.93868 1.95014 1.95980 1.97460 1.98130 1.98806 1.99499 1.99547 2.01172 2.02989 2.03900 2.04351 2.04874 2.05411 2.05641 2.05959 2.07304 2.08376 2.09404 2.10116 2.10778 2.11459 2.11932 2.12095 2.12725 2.13125 2.13394 2.14501 2.15886 2.17231 2.17677 2.19758 2.21453 2.21605 2.23310 2.23871 2.26499 2.27432 2.30382 2.31333 2.32368 2.33004 2.33888 2.34535 2.36410 2.36710 2.39040 2.40163 2.41807 2.43331 2.43664 2.44535 2.45069 2.45486 2.48048 2.48691 2.50457 2.51493 2.54530 2.54953 2.55669 2.57075 2.57620 2.58730 2.59616 2.60984 2.61660 2.62821 2.63885 2.65297 2.65656 2.67297 2.68287 2.69153 2.69953 2.71146 2.71897 2.72434 2.74490 2.75243 2.75489 2.76965 2.78256 2.79561 2.80025 2.82063 2.82739 2.83614 2.84111 2.85576 2.86264 2.86751 2.87343 2.88827 2.90566 2.92207 2.92810 2.93783 2.98696 2.99027 2.99768 3.00087 3.01692 3.03658 3.08425 3.08964 3.17367 3.18906 3.20175 3.20733 3.22075 3.23707 3.29025 3.31945 3.32564 3.34866 3.40826 3.42090 3.42663 3.44750 3.45182 3.46362 3.46950 3.48943 3.50062 3.51029 3.52723 3.76041 3.93476 3.95369 3.99471 4.00450 4.02972 4.15159 4.18659 4.21212 4.27684 4.32000 4.34519 4.36132 4.38495 4.40258 4.42260 4.55101 4.61286 4.62891 4.64496 4.66230 4.68326 4.77681 4.95854</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="42">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="42">S O O O O N N N N 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</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="42">0.082646 -0.504927 -0.573983 -0.611512 -0.613261 -0.508663 -0.203394 -0.192706 -0.480111 0.078423 -0.201033 -0.083180 0.568402 -0.238269 0.258244 0.178892 -0.322215 -0.276057 -0.336113 -0.064686 -0.053270 0.492274 0.330693 0.337775 0.126085 0.146097 0.115166 0.101911 0.118773 0.115746 0.111880 0.194212 0.119276 0.115275 0.117427 0.204940 0.203878 0.206564 0.186988 0.330261 0.212778 0.208772</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">-0.00000</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">11.0939 -19.4692 2.5171</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">22.5491</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-69.9266 -166.0311 -139.6278</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-3.7581 -3.7545 3.1766</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">55.2686 -40.8359 -14.4327 -3.7581 -3.7545 3.1766</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">102.9922 -47.2721 35.4788 43.0228 -165.3658 17.5448 4.2272 15.6556 26.2394 11.5426</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-7446.7550 -2101.7153 -886.5073 -427.7087 -428.8768 -253.7248 -80.7123 101.5531 -134.4700 -1944.6060 -1478.0888 -476.1321 -20.4761 41.3656 -54.7710</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">-1500.4853451</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsd" units="nonsi:unknown">9.422E-9</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsf" units="nonsi:unknown">2.968E-6</scalar>
                  <scalar dataType="xsd:string" dictRef="x:Quadrupole">41.0908391,-30.3604957,-10.7303434,-2.7940717,-2.7913697,2.3617058</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:pointgroup">C01 [X(C15H18N4O4S1)]</scalar>
                  <array dataType="xsd:double" dictRef="cc:dipole" size="3" units="nonsi:debye">4.3646671 -7.6597848 0.9903217</array>
               </module>
            </module>
            <molecule formalCharge="0" id="mol9999" spinMultiplicity="1">
               <atomArray>
                  <atom elementType="S" id="a1" x3="1.38579272" y3="-0.9249022" z3="-1.38395742">
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.0" size="3">-0.000000211 -0.000003655 0.000000593</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.1" size="3">-0.000000032 -0.000000214 -0.000007151</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.2" size="3">0.000000197 0.000005414 -0.000000467</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.3" size="3">-0.000000125 -0.000001983 -0.000009059</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.4" size="3">-0.000000052 0.000002046 -0.000006988</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.5" size="3">0.000000206 0.000001064 -0.000003137</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.6" size="3">-0.000000022 -0.000000520 -0.000000456</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.7" size="3">0.000000113 0.000002177 -0.000002098</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.8" size="3">-0.000000141 0.000000588 -0.000005437</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.9" size="3">0.000000127 0.000000811 0.000000915</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.10" size="3">-0.000000158 -0.000000468 -0.000000322</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.11" size="3">-0.000000024 -0.000001779 0.000002727</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.12" size="3">0.000000254 -0.000000473 -0.000004048</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.13" size="3">-0.000000061 -0.000001418 -0.000000044</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.14" size="3">-0.000000334 -0.000000492 -0.000003004</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.15" size="3">-0.000000011 0.000001641 0.000000520</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.16" size="3">-0.000000205 -0.000005463 0.000003659</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.17" size="3">0.000000105 -0.000000050 0.000002666</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.18" size="3">0.000000103 0.000001469 0.000004424</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.19" size="3">-0.000000177 -0.000001373 0.000003002</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.20" size="3">0.000000027 0.000002927 -0.000000088</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.21" size="3">0.000000043 -0.000000338 -0.000006891</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.22" size="3">0.000000094 -0.000001131 -0.000002508</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.23" size="3">0.000000224 0.000002719 -0.000005251</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.24" size="3">0.000000099 0.000003311 0.000002215</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.25" size="3">-0.000000099 -0.000003237 0.000000131</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.26" size="3">-0.000000017 -0.000000478 0.000005171</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.27" size="3">0.000000064 0.000000839 -0.000001181</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.28" size="3">-0.000000245 -0.000007001 0.000004783</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.29" size="3">-0.000000200 -0.000005431 0.000005587</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.30" size="3">-0.000000249 -0.000006905 0.000001312</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.31" size="3">0.000000023 0.000000783 0.000005059</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.32" size="3">0.000000077 0.000002198 0.000006127</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.33" size="3">0.000000122 0.000003020 0.000004915</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.34" size="3">-0.000000048 -0.000001355 0.000004986</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.35" size="3">0.000000040 0.000000147 0.000005151</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.36" size="3">-0.000000156 -0.000004144 0.000003544</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.37" size="3">0.000000200 0.000003468 -0.000001798</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.38" size="3">0.000000216 0.000005556 0.000001410</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.39" size="3">0.000000235 0.000006686 0.000000197</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.40" size="3">-0.000000116 -0.000003207 -0.000001888</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.41" size="3">0.000000114 0.000004250 -0.000007280</array>
                     </property>
                  </atom>
                  <atom elementType="O" id="a2" x3="-3.45363809" y3="2.17733148" z3="-0.16480603"/>
                  <atom elementType="O" id="a3" x3="-4.62720463" y3="-0.34280789" z3="2.04617003"/>
                  <atom elementType="O" id="a4" x3="-0.24009313" y3="2.82745187" z3="-0.75052088"/>
                  <atom elementType="O" id="a5" x3="1.1832618" y3="1.94070581" z3="0.77521306"/>
                  <atom elementType="N" id="a6" x3="-1.86187229" y3="0.47999982" z3="0.40553779"/>
                  <atom elementType="N" id="a7" x3="4.44862365" y3="-0.6699299" z3="-0.12535197"/>
                  <atom elementType="N" id="a8" x3="3.72774424" y3="0.00691833" z3="0.79957728"/>
                  <atom elementType="N" id="a9" x3="5.44018985" y3="1.26069965" z3="0.22804288"/>
                  <atom elementType="C" id="a10" x3="-2.35273838" y3="-0.92421122" z3="0.29860437"/>
                  <atom elementType="C" id="a11" x3="-3.73529821" y3="-0.35932057" z3="-0.15090196"/>
                  <atom elementType="C" id="a12" x3="-1.33228296" y3="-1.6363781" z3="-0.63158902"/>
                  <atom elementType="C" id="a13" x3="-3.08987711" y3="1.03562329" z3="-0.00438248"/>
                  <atom elementType="C" id="a14" x3="-0.17925536" y3="-0.61468811" z3="-0.62154941"/>
                  <atom elementType="C" id="a15" x3="-0.54709403" y3="0.58656623" z3="-0.10553539"/>
                  <atom elementType="C" id="a16" x3="-4.96998935" y3="-0.65855137" z3="0.69314084"/>
                  <atom elementType="C" id="a17" x3="-1.81537944" y3="-1.96531734" z3="-2.05193962"/>
                  <atom elementType="C" id="a18" x3="2.35173984" y3="-1.69583748" z3="0.0096889"/>
                  <atom elementType="C" id="a19" x3="-5.43785632" y3="-2.10718051" z3="0.55351573"/>
                  <atom elementType="C" id="a20" x3="3.79739765" y3="-1.94513757" z3="-0.48086765"/>
                  <atom elementType="C" id="a21" x3="2.5191479" y3="-0.73063267" z3="1.20153336"/>
                  <atom elementType="C" id="a22" x3="0.20933163" y3="1.91506266" z3="-0.02539751"/>
                  <atom elementType="C" id="a23" x3="5.482823" y3="0.10964048" z3="-0.45429939"/>
                  <atom elementType="C" id="a24" x3="4.33718231" y3="1.17570712" z3="0.98754384"/>
                  <atom elementType="H" id="a25" x3="-2.39314995" y3="-1.39528109" z3="1.28304892"/>
                  <atom elementType="H" id="a26" x3="-3.95487712" y3="-0.55394649" z3="-1.20494951"/>
                  <atom elementType="H" id="a27" x3="-1.02063052" y3="-2.57280891" z3="-0.15552914"/>
                  <atom elementType="H" id="a28" x3="-5.77131603" y3="0.01231229" z3="0.34590962"/>
                  <atom elementType="H" id="a29" x3="-1.00636599" y3="-2.42406118" z3="-2.6280536"/>
                  <atom elementType="H" id="a30" x3="-2.65291364" y3="-2.67035855" z3="-2.02758949"/>
                  <atom elementType="H" id="a31" x3="-2.13561097" y3="-1.06623498" z3="-2.58817977"/>
                  <atom elementType="H" id="a32" x3="1.87580426" y3="-2.6266142" z3="0.31638031"/>
                  <atom elementType="H" id="a33" x3="-4.65153702" y3="-2.80201071" z3="0.86519604"/>
                  <atom elementType="H" id="a34" x3="-6.31915996" y3="-2.28594371" z3="1.178796"/>
                  <atom elementType="H" id="a35" x3="-5.71207417" y3="-2.33182675" z3="-0.48212609"/>
                  <atom elementType="H" id="a36" x3="4.28076645" y3="-2.75626711" z3="0.06824473"/>
                  <atom elementType="H" id="a37" x3="3.88819083" y3="-2.11826163" z3="-1.5528502"/>
                  <atom elementType="H" id="a38" x3="1.71250768" y3="-0.00185293" z3="1.31956265"/>
                  <atom elementType="H" id="a39" x3="2.72947358" y3="-1.26472784" z3="2.13246288"/>
                  <atom elementType="H" id="a40" x3="-5.40757114" y3="-0.50464809" z3="2.59374479"/>
                  <atom elementType="H" id="a41" x3="6.22708749" y3="-0.17972742" z3="-1.18086381"/>
                  <atom elementType="H" id="a42" x3="3.95322095" y3="1.93064749" z3="1.65552632"/>
               </atomArray>
               <bondArray/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">332.2498999999998</scalar>
               </property>
            <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3858,-.9249,-1.384;-3.4536,2.1773,-.1648;-4.6272,-.3428,2.0462;-.2401,2.8275,-.7505;1.1833,1.9407,.7752;-1.8619,.48,.4055;4.4486,-.6699,-.1254;3.7277,.0069,.7996;5.4402,1.2607,.228;-2.3527,-.9242,.2986;-3.7353,-.3593,-.1509;-1.3323,-1.6364,-.6316;-3.0899,1.0356,-.0044;-.1793,-.6147,-.6215;-.5471,.5866,-.1055;-4.97,-.6586,.6931;-1.8154,-1.9653,-2.0519;2.3517,-1.6958,.0097;-5.4379,-2.1072,.5535;3.7974,-1.9451,-.4809;2.5191,-.7306,1.2015;.2093,1.9151,-.0254;5.4828,.1096,-.4543;4.3372,1.1757,.9875;-2.3931,-1.3953,1.283;-3.9549,-.5539,-1.2049;-1.0206,-2.5728,-.1555;-5.7713,.0123,.3459;-1.0064,-2.4241,-2.6281;-2.6529,-2.6704,-2.0276;-2.1356,-1.0662,-2.5882;1.8758,-2.6266,.3164;-4.6515,-2.802,.8652;-6.3192,-2.2859,1.1788;-5.7121,-2.3318,-.4821;4.2808,-2.7563,.0682;3.8882,-2.1183,-1.5529;1.7125,-.0019,1.3196;2.7295,-1.2647,2.1325;-5.4076,-.5046,2.5937;6.2271,-.1797,-1.1809;3.9532,1.9306,1.6555;</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">remark line goes here</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="0" id="mol.l202.orient" spinMultiplicity="1">
               <atomArray>
                  <atom elementType="S" id="a1" x3="1.385793" y3="-0.924902" z3="-1.383957">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="O" id="a2" x3="-3.453638" y3="2.177331" z3="-0.164806">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="O" id="a3" x3="-4.627205" y3="-0.342808" z3="2.04617">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="O" id="a4" x3="-0.240093" y3="2.827452" z3="-0.750521">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="O" id="a5" x3="1.183262" y3="1.940706" z3="0.775213">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="N" id="a6" x3="-1.861872" y3="0.4800" z3="0.405538">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="N" id="a7" x3="4.448624" y3="-0.66993" z3="-0.125352">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="N" id="a8" x3="3.727744" y3="0.006918" z3="0.799577">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="N" id="a9" x3="5.44019" y3="1.2607" z3="0.228043">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a10" x3="-2.352738" y3="-0.924211" z3="0.298604">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a11" x3="-3.735298" y3="-0.359321" z3="-0.150902">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a12" x3="-1.332283" y3="-1.636378" z3="-0.631589">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a13" x3="-3.089877" y3="1.035623" z3="-0.004382">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a14" x3="-0.179255" y3="-0.614688" z3="-0.621549">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a15" x3="-0.547094" y3="0.586566" z3="-0.105535">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a16" x3="-4.969989" y3="-0.658551" z3="0.693141">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a17" x3="-1.815379" y3="-1.965317" z3="-2.05194">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a18" x3="2.35174" y3="-1.695837" z3="0.009689">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a19" x3="-5.437856" y3="-2.107181" z3="0.553516">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a20" x3="3.797398" y3="-1.945138" z3="-0.480868">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a21" x3="2.519148" y3="-0.730633" z3="1.201533">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a22" x3="0.209332" y3="1.915063" z3="-0.025398">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a23" x3="5.482823" y3="0.10964" z3="-0.454299">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a24" x3="4.337182" y3="1.175707" z3="0.987544">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a25" x3="-2.39315" y3="-1.395281" z3="1.283049">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a26" x3="-3.954877" y3="-0.553946" z3="-1.20495">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a27" x3="-1.020631" y3="-2.572809" z3="-0.155529">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a28" x3="-5.771316" y3="0.012312" z3="0.34591">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a29" x3="-1.006366" y3="-2.424061" z3="-2.628054">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a30" x3="-2.652914" y3="-2.670359" z3="-2.027589">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a31" x3="-2.135611" y3="-1.066235" z3="-2.58818">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a32" x3="1.875804" y3="-2.626614" z3="0.31638">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a33" x3="-4.651537" y3="-2.802011" z3="0.865196">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a34" x3="-6.31916" y3="-2.285944" z3="1.178796">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a35" x3="-5.712074" y3="-2.331827" z3="-0.482126">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a36" x3="4.280766" y3="-2.756267" z3="0.068245">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a37" x3="3.888191" y3="-2.118262" z3="-1.55285">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a38" x3="1.712508" y3="-0.001853" z3="1.319563">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a39" x3="2.729474" y3="-1.264728" z3="2.132463">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a40" x3="-5.407571" y3="-0.504648" z3="2.593745">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a41" x3="6.227087" y3="-0.179727" z3="-1.180864">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a42" x3="3.953221" y3="1.930647" z3="1.655526">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
               </atomArray>
               <bondArray/>
               <formula concise="C15H18N4O4S"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">332.2498999999998</scalar>
               </property>
            <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3858,-.9249,-1.384;-3.4536,2.1773,-.1648;-4.6272,-.3428,2.0462;-.2401,2.8275,-.7505;1.1833,1.9407,.7752;-1.8619,.48,.4055;4.4486,-.6699,-.1254;3.7277,.0069,.7996;5.4402,1.2607,.228;-2.3527,-.9242,.2986;-3.7353,-.3593,-.1509;-1.3323,-1.6364,-.6316;-3.0899,1.0356,-.0044;-.1793,-.6147,-.6215;-.5471,.5866,-.1055;-4.97,-.6586,.6931;-1.8154,-1.9653,-2.0519;2.3517,-1.6958,.0097;-5.4379,-2.1072,.5535;3.7974,-1.9451,-.4809;2.5191,-.7306,1.2015;.2093,1.9151,-.0254;5.4828,.1096,-.4543;4.3372,1.1757,.9875;-2.3931,-1.3953,1.283;-3.9549,-.5539,-1.2049;-1.0206,-2.5728,-.1555;-5.7713,.0123,.3459;-1.0064,-2.4241,-2.6281;-2.6529,-2.6704,-2.0276;-2.1356,-1.0662,-2.5882;1.8758,-2.6266,.3164;-4.6515,-2.802,.8652;-6.3192,-2.2859,1.1788;-5.7121,-2.3318,-.4821;4.2808,-2.7563,.0682;3.8882,-2.1183,-1.5529;1.7125,-.0019,1.3196;2.7295,-1.2647,2.1325;-5.4076,-.5046,2.5937;6.2271,-.1797,-1.1809;3.9532,1.9306,1.6555;</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">remark line goes here</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 =  0 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="45">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</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="45">1 1 2 3 3 4 5 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 11 12 12 12 14 15 16 16 17 17 17 18 18 18 19 19 19 20 20 21 21 23 24</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="45">14 18 13 16 40 22 22 10 13 15 8 20 23 21 24 23 24 11 12 25 13 16 26 14 17 27 15 22 19 28 29 30 31 20 21 32 33 34 35 36 37 38 39 41 42</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="45">1.7683 1.8627 1.2089 1.431 0.967 1.2491 1.261 1.4914 1.4088 1.4146 1.354 1.4753 1.3362 1.4718 1.3315 1.3388 1.3419 1.5597 1.5536 1.0921 1.544 1.5253 1.0941 1.5406 1.5359 1.0957 1.3582 1.5309 1.5287 1.1013 1.094 1.0951 1.0947 1.5468 1.5428 1.0895 1.0946 1.0953 1.0946 1.0923 1.0897 1.0935 1.0937 1.0796 1.0787</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="45">calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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="84">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</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="84">14 16 10 10 13 8 8 20 7 7 21 23 6 6 6 11 11 12 10 10 10 13 13 16 10 10 10 14 14 17 2 2 6 1 1 12 6 6 14 3 3 3 11 11 19 12 12 12 29 29 30 1 1 1 20 20 21 16 16 16 33 33 34 7 7 7 18 18 36 8 8 8 18 18 38 4 4 5 7 7 9 8 8 9</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="84">1 3 6 6 6 7 7 7 8 8 8 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 23 23 23 24 24 24</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="84">18 40 13 15 15 20 23 23 21 24 24 24 11 12 25 12 25 25 13 16 26 16 26 26 14 17 27 17 27 27 6 11 11 12 15 15 14 22 22 11 19 28 19 28 28 29 30 31 30 31 31 20 21 32 21 32 32 33 34 35 34 35 35 18 36 37 36 37 37 18 38 39 38 39 39 5 15 15 9 41 41 9 42 42</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="84">102.0633 107.7687 93.6455 110.5441 132.4775 111.2035 106.7738 141.8673 111.9162 106.9512 141.0042 105.0813 88.3616 104.9718 110.7127 125.1482 112.5331 111.4867 85.947 119.1453 113.024 117.5886 109.6348 109.6183 100.5847 116.4398 108.5681 112.5486 110.552 107.9513 132.3255 135.6306 92.0439 122.9055 123.9647 112.7269 108.8052 120.378 130.8154 106.6199 111.6385 109.7554 112.5268 107.1597 109.0125 110.1329 110.971 111.6602 107.8979 107.6226 108.4173 108.3053 112.045 109.7354 104.1473 111.0917 111.3728 110.8335 110.4131 110.9505 108.1709 108.6069 107.7616 101.3503 108.9888 109.7313 111.9522 114.5487 109.8589 101.0484 107.5325 108.6184 114.8539 111.8958 112.0526 129.1681 115.1958 115.6269 110.5784 122.8787 126.5414 110.6054 122.6057 126.7804</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="84">calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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="133">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</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="133">18 18 14 14 14 40 40 40 13 13 13 15 15 15 10 10 15 15 10 10 13 13 20 20 23 23 8 8 8 23 23 23 8 8 20 20 7 7 7 24 24 24 7 7 21 21 24 24 23 23 6 6 6 12 12 12 25 25 25 6 6 6 11 11 11 25 25 25 10 10 16 16 26 26 10 10 10 13 13 13 26 26 26 10 10 17 17 27 27 10 10 10 14 14 14 27 27 27 1 1 12 12 6 6 14 14 3 3 3 11 11 11 28 28 28 1 1 1 21 21 21 32 32 32 1 1 1 20 20 20 32 32 32</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="133">1 1 1 1 1 3 3 3 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 14 14 14 14 15 15 15 15 16 16 16 16 16 16 16 16 16 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="133">14 14 18 18 18 16 16 16 10 10 10 10 10 10 13 13 13 13 15 15 15 15 8 8 8 8 20 20 20 20 20 20 23 23 23 23 21 21 21 21 21 21 24 24 24 24 23 23 24 24 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 16 16 16 16 16 16 16 16 16 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 15 15 15 15 22 22 22 22 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="133">12 15 20 21 32 11 19 28 11 12 25 11 12 25 2 11 2 11 14 22 14 22 21 24 21 24 18 36 37 18 36 37 9 41 9 41 18 38 39 18 38 39 9 42 9 42 7 41 8 42 13 16 26 13 16 26 13 16 26 14 17 27 14 17 27 14 17 27 2 6 2 6 2 6 3 19 28 3 19 28 3 19 28 1 15 1 15 1 15 29 30 31 29 30 31 29 30 31 6 22 6 22 4 5 4 5 33 34 35 33 34 35 33 34 35 7 36 37 7 36 37 7 36 37 8 38 39 8 38 39 8 38 39</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="133">-90.3475 97.4734 -176.3338 -62.0214 62.2414 178.5296 -58.2032 62.7853 -0.3459 125.706 -113.8647 -138.6344 -12.5826 107.8467 -179.7072 0.3495 -57.3559 122.7008 4.2282 -176.1502 -111.5698 68.0517 1.0201 -175.7511 177.5121 0.7409 18.6694 -99.5149 140.1482 -155.8866 85.9292 -34.4078 -0.1911 -179.7678 174.5082 -5.0684 -20.2541 -140.9707 97.5678 154.8343 34.1178 -87.3437 -1.0432 177.9621 -176.28 2.7253 -0.428 179.1295 0.9106 -178.0432 0.3158 -119.1612 109.9438 -106.8983 133.6246 2.7297 112.1056 -7.3714 -138.2664 14.6648 -107.2461 130.7379 113.4127 -8.4982 -130.5142 -105.2507 132.8384 10.8224 179.7256 -0.3344 -59.3531 120.5869 66.7072 -113.3527 49.438 -73.274 166.9119 -52.1032 -174.8153 65.3707 -178.1717 59.1163 -60.6978 173.5704 -13.4579 -61.8154 111.1563 58.9866 -128.0417 177.6147 -62.9754 58.1071 62.2361 -178.354 -57.2715 -60.0458 59.364 -179.5534 179.2485 -0.3201 6.3635 -173.2051 -68.592 110.4096 110.9346 -70.0638 -60.1525 59.6917 179.0999 59.6929 179.5372 -61.0547 178.4275 -61.7282 57.6799 89.3625 -154.6149 -28.6879 -30.0499 85.9726 -148.1004 -150.0527 -34.0301 91.8969 -86.3553 29.0304 158.2369 30.4861 145.8718 -84.9217 150.299 -94.3154 34.8912</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="133">calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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="120">0.00122 0.00184 0.00246 0.00282 0.00289 0.00301 0.00419 0.00467 0.00499 0.00596 0.00918 0.01309 0.01396 0.01533 0.01848 0.01883 0.02367 0.02450 0.02756 0.02865 0.03096 0.03315 0.03720 0.03820 0.03898 0.04103 0.04229 0.04473 0.04505 0.04515 0.04541 0.04592 0.04675 0.04990 0.05144 0.05562 0.05725 0.05849 0.06184 0.06226 0.06401 0.06525 0.06715 0.06907 0.07151 0.07252 0.08117 0.08674 0.09319 0.10788 0.11020 0.11279 0.11645 0.12159 0.12432 0.12623 0.12930 0.13471 0.13939 0.14092 0.14953 0.15429 0.15824 0.15975 0.16657 0.17321 0.17683 0.17897 0.18423 0.18737 0.19132 0.19554 0.20340 0.21006 0.21969 0.22452 0.23131 0.23252 0.24444 0.24541 0.24762 0.26106 0.26532 0.28054 0.28652 0.28897 0.29491 0.30084 0.30299 0.31260 0.32725 0.33077 0.33600 0.33659 0.33687 0.33821 0.33883 0.33906 0.34155 0.34183 0.34442 0.34459 0.34559 0.34577 0.35086 0.35511 0.36061 0.37121 0.38040 0.38432 0.41753 0.45404 0.46991 0.48576 0.52252 0.57955 0.58855 0.66700 0.77261 0.86165</array>
                     <array cmlx:templateRef="junk" dataType="xsd:string" dictRef="x:junk1" size="8">Angle between quadratic step and forces= 74.65 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">0.00000729 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="262">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 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 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</array>
                        <array dataType="xsd:double" dictRef="g:lastval" size="262">3.34160 3.51999 2.28458 2.70428 1.82728 2.36045 2.38298 2.81829 2.66227 2.67327 2.55867 2.78800 2.52510 2.78134 2.51611 2.52994 2.53582 2.94738 2.93594 2.06376 2.91772 2.88232 2.06760 2.91130 2.90242 2.07066 2.56654 2.89289 2.88882 2.08106 2.06738 2.06935 2.06875 2.92311 2.91541 2.05878 2.06857 2.06977 2.06855 2.06413 2.05916 2.06640 2.06675 2.04017 2.03842 1.78134 1.88092 1.63442 1.92936 2.31217 1.94087 1.86355 2.47605 1.95331 1.86665 2.46099 1.83401 1.54220 1.83210 1.93230 2.18425 1.96407 1.94581 1.50006 2.07948 1.97264 2.05231 1.91349 1.91320 1.75553 2.03226 1.89487 1.96434 1.92950 1.88411 2.30952 2.36720 1.60647 2.14510 2.16359 1.96746 1.89901 2.10099 2.28316 1.86087 1.94846 1.91559 1.96396 1.87029 1.90263 1.92218 1.93681 1.94884 1.88317 1.87837 1.89224 1.89028 1.95555 1.91524 1.81771 1.93892 1.94382 1.93441 1.92707 1.93645 1.88794 1.89555 1.88079 1.76890 1.90221 1.91517 1.95393 1.99925 1.91740 1.76363 1.87680 1.89575 2.00458 1.95295 1.95569 2.25441 2.01055 2.01807 1.92996 2.14464 2.20856 1.93043 2.13987 2.21274 -1.57686 1.70123 -3.07761 -1.08248 1.08632 3.11593 -1.01584 1.09581 -0.00604 2.19398 -1.98731 -2.41963 -0.21961 1.88228 -3.13648 0.00610 -1.00105 2.14153 0.07380 -3.07440 -1.94726 1.18773 0.01780 -3.06744 3.09817 0.01293 0.32584 -1.73686 2.44605 -2.72073 1.49975 -0.60053 -0.00334 -3.13754 3.04574 -0.08846 -0.35350 -2.46040 1.70288 2.70237 0.59547 -1.52444 -0.01821 3.10602 -3.07667 0.04757 -0.00747 3.12640 0.01589 -3.10744 0.00551 -2.07976 1.91888 -1.86573 2.33219 0.04764 1.95661 -0.12866 -2.41320 0.25595 -1.87180 2.28181 1.97943 -0.14832 -2.27790 -1.83697 2.31847 0.18889 3.13680 -0.00584 -1.03591 2.10464 1.16426 -1.97838 0.86286 -1.27887 2.91316 -0.90937 -3.05110 1.14093 -3.10968 1.03177 -1.05938 3.02937 -0.23488 -1.07888 1.94004 1.02951 -2.23475 3.09996 -1.09913 1.01416 1.08623 -3.11287 -0.99958 -1.04800 1.03610 -3.13380 3.12848 -0.00559 0.11106 -3.02300 -1.19716 1.92701 1.93617 -1.22284 -1.04986 1.04182 3.12588 1.04184 3.13351 -1.06561 3.11415 -1.07736 1.00670 1.55967 -2.69854 -0.50070 -0.52447 1.50051 -2.58484 -2.61891 -0.59394 1.60390 -1.50718 0.50668 2.76176 0.53208 2.54594 -1.48216 2.62321 -1.64611 0.60897</array>
                        <array dataType="xsd:double" dictRef="cc:deriv" size="262">0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -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="262">0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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="262">-0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -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 0.00000 0.00000 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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -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</array>
                        <array dataType="xsd:double" dictRef="cc:delta.total" size="262">-0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -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 0.00000 0.00000 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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -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</array>
                        <array dataType="xsd:double" dictRef="cc:newval" size="262">3.34160 3.51999 2.28458 2.70428 1.82728 2.36045 2.38298 2.81829 2.66227 2.67327 2.55867 2.78800 2.52510 2.78134 2.51611 2.52994 2.53582 2.94738 2.93594 2.06376 2.91772 2.88232 2.06760 2.91130 2.90242 2.07066 2.56654 2.89289 2.88882 2.08106 2.06738 2.06935 2.06875 2.92311 2.91541 2.05878 2.06857 2.06977 2.06855 2.06413 2.05916 2.06640 2.06675 2.04017 2.03842 1.78134 1.88092 1.63442 1.92936 2.31217 1.94087 1.86355 2.47605 1.95331 1.86665 2.46099 1.83401 1.54220 1.83210 1.93230 2.18425 1.96407 1.94581 1.50006 2.07948 1.97264 2.05231 1.91349 1.91320 1.75553 2.03226 1.89487 1.96434 1.92950 1.88411 2.30951 2.36720 1.60647 2.14510 2.16359 1.96746 1.89901 2.10099 2.28316 1.86087 1.94846 1.91559 1.96396 1.87029 1.90263 1.92218 1.93681 1.94884 1.88317 1.87837 1.89224 1.89028 1.95555 1.91524 1.81771 1.93892 1.94382 1.93441 1.92707 1.93645 1.88794 1.89555 1.88079 1.76890 1.90221 1.91517 1.95394 1.99925 1.91740 1.76363 1.87680 1.89575 2.00458 1.95295 1.95569 2.25441 2.01054 2.01807 1.92996 2.14464 2.20856 1.93043 2.13987 2.21274 -1.57686 1.70123 -3.07761 -1.08248 1.08631 3.11595 -1.01582 1.09583 -0.00604 2.19399 -1.98731 -2.41963 -0.21961 1.88228 -3.13648 0.00610 -1.00105 2.14153 0.07380 -3.07441 -1.94727 1.18772 0.01781 -3.06743 3.09817 0.01293 0.32584 -1.73686 2.44605 -2.72073 1.49975 -0.60053 -0.00334 -3.13754 3.04574 -0.08846 -0.35350 -2.46041 1.70288 2.70237 0.59547 -1.52444 -0.01821 3.10602 -3.07667 0.04756 -0.00747 3.12640 0.01589 -3.10744 0.00551 -2.07976 1.91888 -1.86573 2.33219 0.04764 1.95661 -0.12866 -2.41321 0.25595 -1.87180 2.28181 1.97943 -0.14832 -2.27790 -1.83697 2.31847 0.18889 3.13681 -0.00583 -1.03590 2.10464 1.16426 -1.97838 0.86286 -1.27887 2.91316 -0.90937 -3.05110 1.14093 -3.10968 1.03177 -1.05937 3.02938 -0.23489 -1.07888 1.94004 1.02951 -2.23475 3.09996 -1.09913 1.01416 1.08622 -3.11287 -0.99958 -1.04800 1.03610 -3.13380 3.12848 -0.00558 0.11107 -3.02299 -1.19715 1.92702 1.93618 -1.22284 -1.04986 1.04182 3.12588 1.04184 3.13352 -1.06560 3.11415 -1.07736 1.00670 1.55967 -2.69854 -0.50070 -0.52447 1.50050 -2.58484 -2.61891 -0.59394 1.60390 -1.50718 0.50668 2.76176 0.53209 2.54595 -1.48216 2.62322 -1.64611 0.60897</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 0.000042 0.000007</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">-4.500933e-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="45">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</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="45">1 1 2 3 3 4 5 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 11 12 12 12 14 15 16 16 17 17 17 18 18 18 19 19 19 20 20 21 21 23 24</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="45">14 18 13 16 40 22 22 10 13 15 8 20 23 21 24 23 24 11 12 25 13 16 26 14 17 27 15 22 19 28 29 30 31 20 21 32 33 34 35 36 37 38 39 41 42</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="45">1.7683 1.8627 1.2089 1.431 0.967 1.2491 1.261 1.4914 1.4088 1.4146 1.354 1.4753 1.3362 1.4718 1.3315 1.3388 1.3419 1.5597 1.5536 1.0921 1.544 1.5253 1.0941 1.5406 1.5359 1.0957 1.3582 1.5309 1.5287 1.1013 1.094 1.0951 1.0947 1.5468 1.5428 1.0895 1.0946 1.0953 1.0946 1.0923 1.0897 1.0935 1.0937 1.0796 1.0787</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="45">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-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="84">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</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="84">14 16 10 10 13 8 8 20 7 7 21 23 6 6 6 11 11 12 10 10 10 13 13 16 10 10 10 14 14 17 2 2 6 1 1 12 6 6 14 3 3 3 11 11 19 12 12 12 29 29 30 1 1 1 20 20 21 16 16 16 33 33 34 7 7 7 18 18 36 8 8 8 18 18 38 4 4 5 7 7 9 8 8 9</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="84">1 3 6 6 6 7 7 7 8 8 8 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 23 23 23 24 24 24</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="84">18 40 13 15 15 20 23 23 21 24 24 24 11 12 25 12 25 25 13 16 26 16 26 26 14 17 27 17 27 27 6 11 11 12 15 15 14 22 22 11 19 28 19 28 28 29 30 31 30 31 31 20 21 32 21 32 32 33 34 35 34 35 35 18 36 37 36 37 37 18 38 39 38 39 39 5 15 15 9 41 41 9 42 42</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="84">102.0633 107.7687 93.6455 110.5441 132.4775 111.2035 106.7738 141.8673 111.9162 106.9512 141.0042 105.0813 88.3616 104.9718 110.7127 125.1482 112.5331 111.4867 85.947 119.1453 113.024 117.5886 109.6348 109.6183 100.5847 116.4398 108.5681 112.5486 110.552 107.9513 132.3255 135.6306 92.0439 122.9055 123.9647 112.7269 108.8052 120.378 130.8154 106.6199 111.6385 109.7554 112.5268 107.1597 109.0125 110.1329 110.971 111.6602 107.8979 107.6226 108.4173 108.3053 112.045 109.7354 104.1473 111.0917 111.3728 110.8335 110.4131 110.9505 108.1709 108.6069 107.7616 101.3503 108.9888 109.7313 111.9522 114.5487 109.8589 101.0484 107.5325 108.6184 114.8539 111.8958 112.0526 129.1681 115.1958 115.6269 110.5784 122.8787 126.5414 110.6054 122.6057 126.7804</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="84">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-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="132">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</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="132">18 18 14 14 14 40 40 40 13 13 13 15 15 15 10 10 15 15 10 10 13 13 20 20 23 23 8 8 8 23 23 23 8 8 20 20 7 7 7 24 24 24 7 7 21 21 24 24 23 23 6 6 6 12 12 12 25 25 25 6 6 6 11 11 11 25 25 25 10 10 16 16 26 26 10 10 10 13 13 13 26 26 26 10 10 17 17 27 27 10 10 10 14 14 14 27 27 27 1 1 12 12 6 6 14 14 3 3 3 11 11 11 28 28 28 1 1 1 21 21 21 32 32 32 1 1 1 20 20 20 32 32</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="132">1 1 1 1 1 3 3 3 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 14 14 14 14 15 15 15 15 16 16 16 16 16 16 16 16 16 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="132">14 14 18 18 18 16 16 16 10 10 10 10 10 10 13 13 13 13 15 15 15 15 8 8 8 8 20 20 20 20 20 20 23 23 23 23 21 21 21 21 21 21 24 24 24 24 23 23 24 24 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 16 16 16 16 16 16 16 16 16 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 15 15 15 15 22 22 22 22 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="132">12 15 20 21 32 11 19 28 11 12 25 11 12 25 2 11 2 11 14 22 14 22 21 24 21 24 18 36 37 18 36 37 9 41 9 41 18 38 39 18 38 39 9 42 9 42 7 41 8 42 13 16 26 13 16 26 13 16 26 14 17 27 14 17 27 14 17 27 2 6 2 6 2 6 3 19 28 3 19 28 3 19 28 1 15 1 15 1 15 29 30 31 29 30 31 29 30 31 6 22 6 22 4 5 4 5 33 34 35 33 34 35 33 34 35 7 36 37 7 36 37 7 36 37 8 38 39 8 38 39 8 38</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="132">-90.3475 97.4734 -176.3338 -62.0214 62.2414 178.5296 -58.2032 62.7853 -0.3459 125.706 -113.8647 -138.6344 -12.5826 107.8467 -179.7072 0.3495 -57.3559 122.7008 4.2282 -176.1502 -111.5698 68.0517 1.0201 -175.7511 177.5121 0.7409 18.6694 -99.5149 140.1482 -155.8866 85.9292 -34.4078 -0.1911 -179.7678 174.5082 -5.0684 -20.2541 -140.9707 97.5678 154.8343 34.1178 -87.3437 -1.0432 177.9621 -176.28 2.7253 -0.428 179.1295 0.9106 -178.0432 0.3158 -119.1612 109.9438 -106.8983 133.6246 2.7297 112.1056 -7.3714 -138.2664 14.6648 -107.2461 130.7379 113.4127 -8.4982 -130.5142 -105.2507 132.8384 10.8224 179.7256 -0.3344 -59.3531 120.5869 66.7072 -113.3527 49.438 -73.274 166.9119 -52.1032 -174.8153 65.3707 -178.1717 59.1163 -60.6978 173.5704 -13.4579 -61.8154 111.1563 58.9866 -128.0417 177.6147 -62.9754 58.1071 62.2361 -178.354 -57.2715 -60.0458 59.364 -179.5534 179.2485 -0.3201 6.3635 -173.2051 -68.592 110.4096 110.9346 -70.0638 -60.1525 59.6917 179.0999 59.6929 179.5372 -61.0547 178.4275 -61.7282 57.6799 89.3625 -154.6149 -28.6879 -30.0499 85.9726 -148.1004 -150.0527 -34.0301 91.8969 -86.3553 29.0304 158.2369 30.4861 145.8718 -84.9217 150.299 -94.3154</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="132">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-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">42</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">42</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">42</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.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="903">0.000000 5.876247 0.000000 6.946995 3.552010 0.000000 4.138225 3.330554 6.092518 0.000000 3.593709 4.737137 6.371129 2.267184 0.000000 3.965271 2.395818 3.318998 3.078501 3.397523 0.000000 3.321149 8.399654 9.337729 5.882736 4.276567 6.436345 0.000000 3.334794 7.563926 8.454672 5.109006 3.196016 5.623423 1.353988 0.000000 4.879912 8.949565 10.355156 5.973099 4.345485 7.345822 2.198959 2.197974 0.000000 4.099711 3.323597 2.926638 4.431581 4.575828 1.491373 6.819305 6.171729 8.093735 0.000000 5.297724 2.552279 2.371264 4.767758 5.508180 2.126925 8.189854 7.532234 9.325108 1.559689 0.000000 2.908641 4.388897 4.438494 4.597043 4.593755 2.415606 5.882957 5.509314 7.416092 1.553631 2.763407 0.000000 5.077254 1.208948 2.910020 3.447991 4.436965 1.408811 7.729977 6.941509 8.536201 2.115686 1.543990 3.259159 0.000000 1.768297 4.327305 5.193736 3.445093 3.215188 2.254872 4.654732 4.203646 5.984735 2.380444 3.596132 1.540592 3.402373 0.000000 2.766758 3.313917 4.705409 2.351983 2.367180 1.414636 5.151346 4.407886 6.034343 2.388750 3.325869 2.415520 2.584111 1.358156 0.000000 6.691879 3.328307 1.431043 6.050479 6.680223 3.322560 9.454117 8.723804 10.595833 2.660120 1.525257 3.992989 2.625184 4.968045 4.663711 0.000000 3.431642 4.838048 5.228135 5.210168 5.678174 3.467122 6.680382 6.538125 8.261283 2.626350 3.143129 1.535897 3.849997 2.558734 3.450963 4.381172 0.000000 1.862698 6.980996 7.394837 5.268364 3.895615 4.758728 2.338299 2.327378 4.281041 4.776086 6.234108 3.739893 6.088700 2.823700 3.691325 7.426358 4.657018 0.000000 7.191229 4.775997 2.449119 7.284768 7.763616 4.416227 10.013443 9.409474 11.392122 3.313963 2.539670 4.299053 3.962508 5.591171 5.622293 1.528699 4.464399 7.819384 0.000000 2.769890 8.346985 8.940207 6.257128 4.848837 6.220478 1.475344 2.335576 3.671337 6.282837 7.704882 5.141174 7.519742 4.195671 5.042322 8.938718 5.828545 1.546843 9.294414 0.000000 2.829664 6.782132 7.206537 4.907534 3.017017 4.614388 2.342474 1.471820 3.666821 4.958632 6.409762 4.360531 6.002921 3.258597 3.584031 7.506719 5.558566 1.542770 8.101156 2.437092 0.000000 3.360825 3.674992 5.725509 1.249096 1.261021 2.556364 4.966264 4.086664 5.277717 3.838054 4.555071 3.918772 3.414474 2.627934 1.530851 5.827963 4.823243 4.198779 6.957321 5.289879 3.720257 0.000000 4.326685 9.177118 10.424477 6.342398 4.832259 7.404123 1.336228 2.159412 1.338785 7.939253 9.235028 7.037449 8.634295 5.710670 6.058795 10.543625 7.753816 3.643997 11.188888 2.657720 3.497315 5.590458 0.000000 4.329813 7.939020 9.153514 5.167260 3.252310 6.265063 2.158085 1.331470 1.341898 7.045519 8.295620 6.532400 7.494315 5.117900 5.039649 9.490765 7.547086 3.625459 10.320713 3.491027 2.642948 4.314145 2.127887 0.000000 4.649149 3.998059 2.584773 5.157764 4.917055 2.137513 7.022791 6.298036 8.338374 1.092095 2.220539 2.202136 2.837641 3.022937 3.043650 2.744242 3.432333 4.921967 3.210803 6.460389 4.957729 4.409458 8.204518 7.210733 0.000000 5.356529 2.965302 3.326617 5.043806 6.045230 2.836086 8.473359 7.959609 9.675417 2.228142 1.094125 2.894547 2.171709 3.820912 3.757987 2.155027 2.699409 6.523241 2.775601 7.909328 6.909079 4.982769 9.490733 8.749684 3.055646 0.000000 3.164728 5.336988 4.777841 5.488722 5.108350 3.215917 5.790907 5.487648 7.522308 2.167631 3.502709 1.095748 4.162380 2.181588 3.195057 4.470130 2.144072 3.488446 4.497937 4.869621 4.214886 4.655183 7.041286 6.638083 2.310820 3.713070 0.000000 7.422602 3.212440 2.079901 6.302507 7.229741 3.937771 10.253522 9.509889 11.281411 3.544854 2.128450 4.835152 2.891364 5.709663 5.275042 1.101250 5.030918 8.307518 2.155585 9.801809 8.367548 6.287008 11.282972 10.195436 3.777771 2.454641 5.431695 0.000000 3.085073 5.764507 6.268210 5.629449 5.952133 4.285807 6.252792 6.330096 7.955679 3.553533 4.224512 2.170838 4.816024 2.825598 3.954479 5.464217 1.094009 4.331844 5.464513 5.283552 5.473818 5.203819 7.297563 7.388125 4.275311 3.770447 2.477036 6.122509 0.000000 4.446575 5.254638 5.090269 6.138284 6.620714 4.058400 7.619190 7.474856 9.275744 2.924092 3.167714 2.182200 4.244833 3.510230 4.328548 4.101046 1.095052 5.490606 3.838643 6.672691 6.398437 5.764313 8.740357 8.529050 3.557194 2.617450 2.485654 4.749174 1.769841 0.000000 3.724300 4.258011 5.311175 4.704336 5.600805 3.380550 7.040932 6.856201 8.410618 2.898420 2.999842 2.190581 3.464742 2.810490 3.379151 4.355109 1.094738 5.223183 4.675323 6.357187 6.011766 4.577635 7.998541 7.727170 3.893714 2.342113 3.070950 4.794841 1.766487 1.776253 0.000000 2.455012 7.191133 7.106129 5.946607 4.642257 4.860990 3.262383 3.255557 5.274832 4.558406 6.069880 3.488701 6.178419 3.025034 4.046354 7.133030 4.435210 1.089458 7.335917 2.189186 2.189094 4.849822 4.592561 4.578918 4.546933 6.372381 2.935120 8.089700 4.125242 5.099548 5.192562 0.000000 6.710557 5.223956 2.728181 7.332273 7.519730 4.331871 9.398930 8.837802 10.897455 3.021859 2.799765 3.823155 4.233484 5.195777 5.410289 2.173806 4.153736 7.141526 1.094638 8.598291 7.471442 6.831690 10.626572 9.830274 2.693288 3.134427 3.778610 3.073105 5.062895 3.518528 4.611790 6.552721 0.000000 8.233252 5.471500 2.718608 8.174603 8.620544 5.302432 10.966197 10.312192 12.319291 4.285038 3.486591 5.344939 4.781316 6.613075 6.574007 2.168992 5.551981 8.769238 1.095275 10.257454 8.974140 7.856191 12.152886 11.206125 4.027121 3.777816 5.471483 2.505157 6.537351 4.885698 5.760198 8.247257 1.773594 0.000000 7.291944 5.053091 3.394911 7.525475 8.208599 4.849574 10.301892 9.809315 11.738125 3.725058 2.812140 4.437179 4.294633 5.794833 5.944397 2.175268 4.216974 8.103793 1.094630 9.517331 8.552868 7.301213 11.458065 10.744779 3.874044 2.602129 4.708968 2.486793 5.172736 3.444056 4.339156 7.635471 1.777945 1.768989 0.000000 3.720707 9.176912 9.438693 7.230938 5.670617 6.951201 2.102013 2.911336 4.183996 6.885701 8.369628 5.766302 8.289155 4.995395 5.874774 9.506176 6.502598 2.202063 9.752355 1.092292 2.913904 6.197312 3.151415 4.038405 6.918757 8.619574 5.309288 10.430076 5.944254 7.244020 7.147216 2.421203 8.967902 10.668316 10.016982 0.000000 2.777522 8.618656 9.413668 6.492037 5.404788 6.606775 2.109384 3.174279 4.122822 6.618371 7.948391 5.322995 7.812693 4.435332 5.392825 9.254328 5.727407 2.231737 9.560965 1.089661 3.374377 5.668758 2.951815 4.183949 6.929666 8.005113 5.124026 10.072274 5.020584 6.581507 6.202004 2.793232 8.901765 10.567877 9.662150 1.785809 0.000000 2.875375 5.800108 6.390318 4.012837 2.085654 3.720728 3.165507 2.081259 4.084246 4.291774 5.654082 3.968553 5.088427 2.778894 2.735497 6.743843 5.260058 2.234719 7.493126 3.371153 1.093489 2.782629 4.168248 2.895825 4.335827 6.228741 4.031843 7.546908 5.370572 6.114021 5.586714 2.814678 6.967668 8.351322 7.987445 3.968444 4.178940 0.000000 3.779705 7.440167 7.414722 5.820297 3.808898 5.206419 2.899481 2.095283 4.165643 5.413674 6.915692 4.927065 6.612304 4.058059 4.378564 7.856260 6.217374 2.198797 8.361105 2.903948 1.093675 4.595492 4.020095 3.138676 5.194210 7.504937 4.583586 8.779865 6.161418 6.946361 6.781808 2.425210 7.645163 9.155880 8.901377 2.981978 3.956347 1.813802 0.000000 7.883433 4.315144 0.966955 6.999274 7.261260 4.281327 10.225722 9.323879 11.242194 3.843918 3.217251 5.318982 3.807152 6.138853 5.665783 1.956389 6.051428 8.264574 2.594525 9.811203 8.051223 6.653157 11.325573 10.018168 3.405567 4.067288 5.575038 2.335021 7.093795 5.799584 6.154141 7.920649 2.972767 2.450732 3.590583 10.262155 10.305784 7.250646 8.185475 0.000000 4.902516 10.015216 11.325017 7.145121 5.810564 8.269412 2.125403 3.194323 2.163113 8.738220 10.017096 7.718006 9.469267 6.445406 6.901672 11.362909 8.284225 4.328317 11.949647 3.083839 4.441636 6.475850 1.079611 3.179770 9.047482 10.188868 7.701141 12.096677 7.710658 9.261458 8.526497 5.211781 11.375729 12.938797 12.151681 3.462224 3.060511 5.163836 4.938488 12.235952 0.000000 4.897378 7.631253 8.885095 4.917032 2.906497 6.122267 3.190604 2.117598 2.167398 7.053834 8.223166 6.774298 7.291200 5.361079 5.016047 9.340975 7.886735 4.292425 10.281576 4.428337 3.056974 4.103956 3.179169 1.078685 7.174745 8.768896 6.949837 9.998086 7.868294 8.853000 8.004013 5.184362 9.852134 11.114348 10.777577 4.959225 5.166389 2.977957 3.454772 9.717785 4.203482 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5037032 0.1230618 0.1111334</array>
                  </module>
               </module>
               <module cmlx:templateRef="l50X">
                  <scalar dataType="xsd:integer" dictRef="cc:ncycle">2</scalar>
                  <scalar dataType="xsd:double" dictRef="g:rbhflyp" units="nonsi:hartree">-1500.48534509</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=111111111111111111111111111111111111111111</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">CalDSu exits because no D1Ps are significant.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">There are   129 degrees of freedom in the 1st order CPHF.  IDoFFX=6 NUNeed=     3.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">129 vectors produced by pass  0 Test12= 3.33D-14 1.00D-09 XBig12= 2.09D+02 5.78D+00.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">AX will form     2 AO Fock derivatives at one time.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">129 vectors produced by pass  1 Test12= 3.33D-14 1.00D-09 XBig12= 4.01D+01 1.19D+00.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">127 vectors produced by pass  2 Test12= 3.33D-14 1.00D-09 XBig12= 4.14D-01 8.39D-02.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">126 vectors produced by pass  3 Test12= 3.33D-14 1.00D-09 XBig12= 1.96D-03 3.80D-03.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">126 vectors produced by pass  4 Test12= 3.33D-14 1.00D-09 XBig12= 4.31D-06 1.73D-04.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">103 vectors produced by pass  5 Test12= 3.33D-14 1.00D-09 XBig12= 5.52D-09 5.30D-06.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">23 vectors produced by pass  6 Test12= 3.33D-14 1.00D-09 XBig12= 5.51D-12 2.24D-07.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">3 vectors produced by pass  7 Test12= 3.33D-14 1.00D-09 XBig12= 5.44D-15 7.53D-09.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">InvSVY:  IOpt=1 It=  1 EMax= 1.31D-14</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">Solved reduced A of dimension   766 with   129 vectors.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu:  requested number of processors reduced to:  62 ShMem   1 Linda.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">Isotropic polarizability for W=    0.000000      270.51 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">PT85371.300S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:date">2021-10-17T00:51:28.000</scalar>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal">
                     <array dataType="xsd:double" dictRef="g:alphaocc" size="87">-14.48594 -14.48296 -14.37886 -14.36502 -10.30978 -10.30704 -10.29960 -10.27932 -10.26853 -10.26092 -10.25860 -10.24542 -10.23278 -10.22586 -10.20898 -10.20437 -10.20430 -10.17904 -10.17782 -7.95019 -5.91559 -5.91173 -5.90491 -1.16636 -1.05185 -1.02171 -1.01283 -0.97942 -0.97511 -0.92721 -0.92424 -0.85448 -0.82323 -0.79478 -0.76360 -0.75841 -0.74327 -0.69860 -0.69151 -0.67472 -0.65488 -0.64148 -0.60766 -0.60159 -0.57538 -0.56463 -0.56185 -0.55246 -0.51518 -0.50914 -0.49412 -0.48353 -0.48169 -0.48124 -0.47595 -0.47347 -0.46364 -0.45308 -0.44506 -0.43575 -0.43057 -0.42038 -0.40926 -0.40626 -0.39944 -0.39377 -0.39308 -0.38448 -0.38380 -0.37612 -0.36448 -0.36069 -0.35748 -0.34249 -0.34021 -0.33513 -0.33309 -0.32801 -0.31995 -0.30245 -0.27761 -0.26585 -0.24633 -0.23871 -0.23526 -0.22406 -0.20590</array>
                     <array dataType="xsd:double" dictRef="g:alphavirt" size="362">-0.05944 -0.02084 -0.00226 0.00864 0.04127 0.06596 0.06962 0.07350 0.07844 0.08491 0.08943 0.10382 0.11304 0.11742 0.12028 0.12887 0.13194 0.14282 0.14403 0.14929 0.15334 0.15479 0.16237 0.16598 0.17172 0.17610 0.18162 0.18663 0.19457 0.19625 0.20917 0.21470 0.21517 0.22403 0.23038 0.23705 0.24804 0.25402 0.25939 0.27825 0.28840 0.29455 0.30125 0.32361 0.33278 0.35996 0.36112 0.36759 0.37439 0.38392 0.40797 0.43195 0.44497 0.45125 0.45383 0.46063 0.48177 0.48755 0.50554 0.51224 0.52183 0.52754 0.53268 0.53538 0.54395 0.55239 0.56150 0.56841 0.57065 0.58042 0.58937 0.59002 0.59853 0.60219 0.60673 0.61049 0.62703 0.63096 0.63633 0.64436 0.64569 0.66876 0.67961 0.68354 0.69000 0.69540 0.70280 0.71903 0.72298 0.73201 0.73415 0.74174 0.74602 0.75159 0.76232 0.77190 0.77851 0.78394 0.78527 0.79809 0.80292 0.81280 0.82180 0.82402 0.84104 0.84418 0.84839 0.85366 0.85562 0.85950 0.86723 0.87177 0.87771 0.88469 0.89272 0.89975 0.90164 0.90702 0.91312 0.92047 0.92458 0.93162 0.93415 0.94486 0.94587 0.96094 0.96288 0.97877 0.98543 0.99391 1.00131 1.00649 1.01383 1.02052 1.03491 1.03826 1.04594 1.05176 1.07765 1.08490 1.11730 1.12885 1.13644 1.14307 1.16751 1.17571 1.18287 1.19857 1.20834 1.23219 1.24115 1.25365 1.27533 1.28610 1.29024 1.31576 1.32111 1.35093 1.36049 1.37347 1.37887 1.39460 1.40354 1.43319 1.43783 1.45420 1.47767 1.48267 1.49912 1.51100 1.52208 1.53583 1.54288 1.56491 1.59172 1.61994 1.62832 1.64074 1.64936 1.65828 1.66429 1.67841 1.68376 1.70310 1.71324 1.71884 1.72237 1.72830 1.73154 1.74347 1.75032 1.75687 1.77687 1.78637 1.79010 1.79583 1.80546 1.81375 1.82571 1.83618 1.84200 1.85118 1.86245 1.87048 1.88157 1.89264 1.90101 1.90406 1.90955 1.91337 1.93156 1.93868 1.95014 1.95980 1.97460 1.98130 1.98806 1.99499 1.99547 2.01172 2.02989 2.03900 2.04351 2.04874 2.05411 2.05641 2.05959 2.07304 2.08376 2.09404 2.10116 2.10778 2.11459 2.11932 2.12095 2.12725 2.13125 2.13394 2.14501 2.15886 2.17231 2.17677 2.19758 2.21453 2.21605 2.23310 2.23871 2.26499 2.27432 2.30382 2.31333 2.32368 2.33004 2.33888 2.34535 2.36410 2.36710 2.39040 2.40163 2.41807 2.43331 2.43664 2.44535 2.45069 2.45486 2.48048 2.48691 2.50457 2.51493 2.54530 2.54953 2.55669 2.57075 2.57620 2.58730 2.59616 2.60984 2.61660 2.62821 2.63885 2.65297 2.65656 2.67297 2.68287 2.69153 2.69953 2.71146 2.71897 2.72434 2.74490 2.75243 2.75489 2.76965 2.78256 2.79561 2.80025 2.82063 2.82739 2.83614 2.84111 2.85576 2.86264 2.86751 2.87343 2.88827 2.90566 2.92207 2.92810 2.93783 2.98696 2.99027 2.99768 3.00087 3.01692 3.03658 3.08425 3.08964 3.17367 3.18906 3.20175 3.20733 3.22075 3.23707 3.29025 3.31945 3.32564 3.34866 3.40826 3.42090 3.42663 3.44750 3.45182 3.46362 3.46950 3.48943 3.50062 3.51029 3.52723 3.76041 3.93476 3.95369 3.99471 4.00450 4.02972 4.15159 4.18659 4.21212 4.27684 4.32000 4.34519 4.36132 4.38495 4.40258 4.42260 4.55101 4.61286 4.62891 4.64496 4.66230 4.68326 4.77681 4.95854</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="42">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</array>
                              <array dataType="xsd:string" dictRef="cc:elementType" size="42">S O O O O N N N N 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</array>
                              <array dataType="xsd:double" dictRef="x:charge" size="42">0.082646 -0.504927 -0.573982 -0.611511 -0.613261 -0.508664 -0.203394 -0.192705 -0.480111 0.078424 -0.201032 -0.083179 0.568402 -0.238270 0.258243 0.178890 -0.322215 -0.276057 -0.336113 -0.064686 -0.053269 0.492274 0.330694 0.337773 0.126085 0.146097 0.115166 0.101912 0.118773 0.115746 0.111880 0.194212 0.119276 0.115275 0.117427 0.204940 0.203878 0.206563 0.186988 0.330261 0.212778 0.208772</array>
                           </list>
                           <scalar dataType="xsd:double" dictRef="x:chargesum">-0.00000</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="24">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="24">S O O O O N N N N C C C C C C C C C C C C C C C</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="24">0.082646 -0.504927 -0.243721 -0.611511 -0.613261 -0.508664 -0.203394 -0.192705 -0.480111 0.204509 -0.054935 0.031987 0.568402 -0.238270 0.258243 0.280802 0.024184 -0.081845 0.015865 0.344133 0.340282 0.492274 0.543471 0.546545</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">-0.00001</scalar>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l601.polariz">
                     <array dataType="xsd:double" dictRef="g:l601.pol.exact" size="6">327.291 -11.525 273.042 -13.401 14.786 211.183</array>
                     <array dataType="xsd:double" dictRef="g:l601.pol.approx" size="6">339.544 -22.320 334.200 -11.089 13.552 259.628</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">-9.3684 -4.1832 -0.0008 0.0015 0.0016 10.2376 22.2064 24.3723 36.5152</array>
                     </module>
                     <module cmlx:templateRef="l716.freq.chunkx" dictRef="cc:vibrations" id="default">
                        <array dataType="xsd:integer" dictRef="x:serial" size="120">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</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="cc:irrep" size="120">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="120">21.1524 23.3447 36.0818 45.4710 58.5309 66.0413 75.0522 94.4833 118.9793 127.5273 140.1504 156.9534 167.6324 183.3271 213.7519 233.4700 247.4046 251.3698 266.8437 271.4967 273.4671 293.6847 312.7939 364.0572 383.0402 418.8742 435.5815 448.5379 466.5725 514.4346 550.1524 571.6432 612.4951 618.0458 630.1805 653.0984 657.5861 668.7959 697.1009 730.9749 758.6650 782.4863 804.7705 833.1301 845.7655 871.8302 879.3034 900.1524 901.4664 916.6604 927.0727 930.1990 959.1468 982.2270 987.4880 1027.1760 1039.1190 1053.3230 1060.7654 1070.4553 1090.8725 1098.0008 1122.7442 1128.1081 1142.0837 1154.1266 1165.5252 1169.9264 1195.5355 1213.6606 1222.4873 1234.1638 1259.4707 1265.0952 1266.3777 1273.9411 1281.7281 1291.4304 1302.3869 1332.6053 1335.8013 1355.1856 1371.4539 1371.9131 1391.4720 1393.1235 1399.6655 1413.9591 1419.7960 1421.7910 1448.2679 1493.0287 1497.9647 1500.3708 1502.8935 1503.0471 1506.9227 1527.7438 1555.6763 1599.2809 1712.6461 1838.2752 2994.7598 3042.2958 3042.6278 3052.6428 3062.2679 3100.3185 3105.8280 3107.2779 3113.3511 3115.4526 3121.3801 3123.6279 3133.5106 3151.4397 3177.3162 3302.1085 3314.7854 3810.5656</array>
                        <array dataType="xsd:double" dictRef="cc:redmass" size="120">6.1924 5.7315 8.4890 4.6736 7.9995 5.8273 4.1262 5.3704 6.4240 5.2575 6.1951 7.1241 4.8834 6.8025 3.8100 4.6394 1.0634 1.2279 4.8483 1.7241 1.9547 2.9519 3.6355 4.5701 3.4017 4.8023 3.4539 4.2344 5.0352 4.9062 4.5849 3.5624 4.3417 4.3625 5.2282 4.4385 3.3636 3.9747 8.6613 6.2707 6.1446 10.2656 4.7185 5.0931 3.9749 2.9771 1.4707 1.4151 4.5425 2.5082 3.4882 1.8564 2.0653 4.3645 2.2096 3.0516 1.9368 1.8686 1.5235 2.5205 1.9941 2.1795 2.1150 3.0351 3.9019 2.5471 1.6630 3.0347 1.5418 1.2171 1.1805 1.3486 1.3785 2.0930 1.6731 2.0168 1.9117 1.7464 2.0888 1.5385 1.4215 1.4125 1.4352 1.6457 1.9609 2.8983 3.8418 1.2917 1.2520 1.5348 3.2855 1.1787 1.0469 1.0564 1.1793 1.0934 1.0483 3.9721 3.5826 10.6865 12.0094 12.9578 1.0837 1.0356 1.0355 1.0852 1.0591 1.0853 1.0872 1.0617 1.1025 1.1029 1.1018 1.1030 1.1114 1.0890 1.1081 1.1009 1.1023 1.0665</array>
                        <array dataType="xsd:double" dictRef="cc:forceconst" size="120">0.0016 0.0018 0.0065 0.0057 0.0161 0.0150 0.0137 0.0282 0.0536 0.0504 0.0717 0.1034 0.0809 0.1347 0.1026 0.1490 0.0383 0.0457 0.2034 0.0749 0.0861 0.1500 0.2096 0.3569 0.2941 0.4964 0.3861 0.5019 0.6458 0.7650 0.8176 0.6859 0.9597 0.9818 1.2233 1.1154 0.8570 1.0475 2.4798 1.9741 2.0837 3.7033 1.8005 2.0829 1.6752 1.3332 0.6700 0.6755 2.1749 1.2417 1.7663 0.9464 1.1194 2.4809 1.2695 1.8970 1.2322 1.2215 1.0100 1.7017 1.3981 1.5481 1.5708 2.2758 2.9986 1.9990 1.3310 2.4473 1.2984 1.0562 1.0395 1.2103 1.2883 1.9736 1.5809 1.9285 1.8504 1.7161 2.0875 1.6097 1.4945 1.5284 1.5904 1.8250 2.2370 3.3142 4.4344 1.5215 1.4870 1.8280 4.0603 1.5481 1.3840 1.4011 1.5694 1.4553 1.4025 5.4623 5.1084 16.1041 20.7542 25.7990 5.7265 5.6472 5.6479 5.9581 5.8514 6.1466 6.1789 6.0397 6.2966 6.3072 6.3250 6.3406 6.4293 6.3726 6.5907 7.0725 7.1362 9.1244</array>
                        <array dataType="xsd:double" dictRef="cc:irintensity" size="120">6.8541 2.9183 4.1825 0.3719 4.8924 6.2902 1.0962 3.5168 3.3453 0.5507 0.6933 31.5421 3.7812 1.1907 3.9183 3.9748 13.6484 2.6334 12.2509 101.7741 57.4834 4.0637 5.4417 11.1353 28.3333 1.7771 15.6695 1.8171 1.3241 4.5351 35.8216 6.3081 3.7522 0.7108 8.8861 15.3882 49.9758 12.7072 31.4199 0.1612 58.7846 41.9646 8.5110 2.8627 20.4396 28.6418 23.4881 3.1233 6.9084 2.8430 12.1205 1.3784 3.1784 46.5735 29.5101 30.4827 2.9963 5.3013 16.4876 67.1342 24.1498 14.9896 23.2363 25.8565 0.1752 113.1041 75.6979 28.1871 71.6672 8.1857 7.6635 13.9660 36.1664 127.4653 139.1728 352.4529 4.6337 75.4075 220.5903 92.8010 23.8775 13.7262 20.1832 2.8318 84.0675 215.6037 146.2238 25.0331 4.4646 47.5881 9.2729 33.3708 9.2904 4.4740 53.6002 2.6562 7.6423 7.4434 85.3410 154.7571 718.9874 1115.6492 86.3439 20.0461 35.4094 24.8683 116.7786 5.3523 31.7181 5.3617 46.6858 52.4772 33.4163 49.9385 60.1973 3.6768 0.1395 13.4588 13.4312 42.9500</array>
                        <array dataType="xsd:double" dictRef="cc:displacement" size="15120">0.01 0.08 -0.02 -0.12 -0.05 -0.10 0.10 -0.01 0.06 -0.15 0.10 0.03 -0.02 0.06 -0.11 -0.05 0.02 -0.08 0.02 -0.07 0.05 0.04 -0.02 0.03 0.17 -0.16 0.10 0.01 0.00 -0.04 -0.03 -0.06 0.01 0.00 0.05 -0.08 -0.08 -0.03 -0.06 -0.01 0.06 -0.06 -0.04 0.06 -0.06 0.03 -0.08 0.10 -0.01 0.11 -0.09 -0.05 0.06 0.00 0.08 -0.10 0.19 -0.05 -0.03 0.04 -0.03 0.07 -0.01 -0.07 0.07 -0.04 0.10 -0.16 0.10 0.14 -0.07 0.06 0.08 0.01 -0.04 -0.09 -0.10 0.03 0.02 0.03 -0.12 -0.02 -0.12 0.12 -0.00 0.15 -0.12 0.01 0.09 -0.12 -0.03 0.13 -0.04 -0.10 0.09 0.01 0.13 -0.06 0.17 0.13 -0.11 0.25 0.03 -0.16 0.21 -0.12 -0.06 0.05 -0.04 -0.04 0.04 0.02 0.13 -0.06 -0.10 0.08 0.01 0.14 -0.02 0.12 0.11 -0.22 0.12 0.18 -0.05 0.06 0.02 -0.02 -0.05 0.02 -0.02 -0.13 0.16 0.09 0.08 0.14 -0.02 -0.04 -0.01 -0.07 0.07 0.02 -0.00 -0.07 -0.05 0.04 0.03 -0.10 -0.03 0.04 -0.18 0.09 0.10 0.03 -0.01 -0.04 0.00 -0.02 0.01 -0.00 0.00 -0.08 0.02 -0.02 -0.07 0.01 -0.01 -0.06 0.03 -0.01 -0.06 0.06 0.02 0.12 -0.03 0.08 -0.09 -0.00 -0.06 -0.06 0.05 0.01 0.22 0.02 0.02 -0.03 -0.07 -0.12 -0.01 0.06 -0.03 -0.01 -0.09 0.11 0.07 -0.18 -0.00 0.08 0.08 -0.01 -0.04 -0.07 -0.06 0.04 -0.01 -0.02 -0.13 0.04 0.00 0.14 -0.05 0.10 -0.13 -0.04 0.08 -0.11 -0.03 0.10 -0.04 0.02 -0.10 -0.12 0.08 0.03 0.20 0.10 0.05 0.30 -0.02 -0.04 0.26 0.04 0.02 -0.05 0.06 0.06 -0.03 -0.11 -0.16 0.02 -0.06 -0.15 -0.03 0.20 0.12 0.14 -0.07 0.18 0.07 -0.25 -0.04 0.09 0.01 -0.08 -0.06 0.07 0.07 0.33 0.09 -0.17 0.09 -0.11 -0.06 -0.19 0.07 0.09 -0.28 0.08 -0.02 0.01 -0.02 -0.00 0.10 -0.08 0.03 0.04 -0.05 0.01 0.11 0.04 0.00 -0.02 0.03 0.07 0.06 -0.01 0.00 -0.07 0.06 0.05 0.16 0.01 -0.03 -0.08 0.04 -0.02 -0.07 0.04 0.01 0.06 -0.06 0.06 -0.07 -0.03 -0.01 0.01 -0.01 0.04 -0.11 0.00 -0.01 0.10 -0.10 0.03 -0.01 0.00 0.01 -0.19 -0.00 -0.01 0.15 -0.10 0.03 0.04 0.05 -0.03 -0.04 0.01 0.17 0.05 -0.02 -0.02 -0.11 0.06 0.08 0.16 -0.09 0.06 -0.11 -0.08 0.08 -0.07 -0.06 0.08 -0.03 -0.03 -0.00 0.02 -0.02 -0.02 -0.22 0.01 -0.01 -0.11 -0.04 0.18 -0.13 -0.03 0.00 0.14 0.06 -0.03 0.11 -0.11 0.04 -0.09 -0.16 0.07 0.02 0.09 -0.20 0.08 0.04 -0.03 0.20 -0.15 0.05 -0.01 -0.05 0.05 -0.09 0.01 -0.00 -0.01 -0.06 0.05 -0.01 0.00 0.00 -0.07 0.00 0.01 -0.07 0.01 0.02 0.04 0.00 0.05 -0.04 -0.00 -0.04 0.01 0.06 -0.03 0.22 0.01 0.01 0.07 0.02 -0.00 0.03 0.02 -0.03 0.11 0.01 0.00 0.01 -0.02 0.01 -0.02 -0.01 0.01 -0.02 -0.01 0.01 -0.01 -0.01 -0.21 0.16 0.00 0.02 -0.14 0.01 0.00 0.01 0.01 0.08 -0.17 -0.02 -0.05 -0.08 -0.00 0.01 -0.06 0.04 0.05 0.08 0.04 -0.08 0.17 -0.01 0.04 0.08 0.05 -0.02 0.02 0.07 0.03 0.20 -0.00 -0.00 -0.06 -0.01 -0.25 0.19 0.01 -0.23 0.27 -0.06 -0.28 0.06 0.04 -0.02 -0.19 0.00 0.02 0.06 -0.02 0.01 -0.02 0.05 -0.03 0.00 0.02 0.03 -0.25 0.01 0.19 -0.18 -0.02 -0.05 -0.07 -0.06 -0.10 -0.10 -0.08 0.06 -0.03 0.06 0.10 0.08 0.05 -0.15 0.25 0.03 0.01 0.00 -0.03 0.01 -0.03 -0.04 0.06 -0.06 -0.20 0.18 0.29 0.24 -0.01 -0.24 0.04 0.06 -0.01 -0.05 -0.06 0.02 -0.07 -0.08 0.03 -0.19 0.03 -0.07 0.06 0.05 0.03 0.06 0.00 -0.02 0.07 0.03 0.06 0.02 0.02 -0.02 0.05 0.06 0.01 0.04 0.06 -0.00 0.04 -0.03 -0.06 0.08 -0.07 0.09 -0.03 -0.09 -0.01 0.16 -0.08 -0.01 -0.02 -0.08 0.03 -0.05 -0.12 0.02 0.02 0.08 0.02 -0.12 0.01 -0.04 -0.16 -0.03 -0.04 0.05 0.08 0.04 0.10 -0.02 -0.02 0.11 0.07 0.12 0.01 -0.11 -0.13 0.09 -0.09 0.12 0.10 -0.09 0.14 0.06 -0.12 0.03 -0.05 -0.09 -0.06 0.20 0.00 0.08 0.14 -0.11 -0.05 0.24 -0.16 -0.01 -0.02 -0.06 0.05 0.01 -0.09 0.03 -0.06 -0.14 0.03 -0.04 -0.14 0.01 -0.06 0.02 -0.09 -0.12 0.04 -0.05 -0.21 -0.03 -0.06 0.01 0.09 -0.04 -0.00 0.03 0.03 -0.02 -0.09 0.00 0.20 0.04 -0.15 -0.12 0.08 0.17 0.03 0.06 0.03 -0.06 -0.09 0.04 -0.07 -0.02 -0.02 -0.06 -0.07 -0.07 0.05 0.05 0.03 0.05 0.01 0.03 0.05 0.05 0.04 0.01 0.03 0.04 0.01 0.09 -0.05 0.01 0.08 -0.03 0.05 -0.09 -0.01 0.02 -0.08 0.08 -0.10 0.01 -0.01 0.19 -0.13 -0.06 -0.10 -0.08 0.07 -0.09 0.02 -0.01 0.03 0.07 -0.00 -0.05 -0.11 0.01 -0.07 -0.01 -0.09 0.05 0.06 0.04 0.08 0.03 0.02 0.11 0.09 0.09 -0.00 -0.16 -0.02 0.02 -0.09 0.09 0.05 -0.12 0.16 -0.03 -0.14 0.02 -0.18 0.05 -0.03 0.25 -0.06 -0.04 0.19 -0.23 -0.09 0.25 -0.14 -0.07 -0.16 -0.07 0.13 -0.05 -0.13 0.08 -0.08 0.04 -0.01 -0.11 0.02 -0.01 -0.01 -0.19 -0.02 -0.04 -0.17 0.04 -0.09 0.04 -0.15 -0.01 -0.03 -0.00 0.03 0.03 0.16 -0.17 0.23 -0.09 -0.01 -0.07 -0.04 -0.02 -0.00 0.00 0.00 -0.04 0.02 0.01 0.02 -0.01 0.01 0.01 -0.01 0.02 0.01 0.02 -0.02 -0.02 -0.03 -0.01 0.02 -0.02 -0.03 -0.01 -0.05 0.01 0.01 0.07 -0.01 -0.04 -0.00 -0.00 -0.04 0.02 -0.03 -0.03 -0.07 -0.03 0.08 -0.07 0.01 0.00 0.00 0.21 -0.12 0.12 0.01 0.01 -0.01 0.01 0.01 -0.00 -0.01 -0.04 -0.01 0.02 0.01 0.01 0.02 0.01 0.01 -0.03 -0.05 -0.04 0.02 0.07 -0.04 -0.07 -0.04 -0.09 -0.11 -0.20 -0.22 -0.04 0.08 -0.09 -0.05 0.11 -0.12 0.01 0.12 -0.03 0.03 -0.00 0.02 0.29 0.05 0.31 0.17 -0.16 0.05 0.36 -0.34 0.12 0.02 0.01 -0.02 0.01 0.02 -0.01 0.01 0.01 -0.01 0.01 0.02 -0.00 -0.17 0.15 -0.12 0.02 0.01 0.01 0.02 0.00 0.02 -0.03 -0.04 0.09 -0.09 0.05 -0.09 -0.08 -0.15 0.06 0.13 -0.01 -0.12 0.10 -0.04 -0.11 -0.04 0.10 -0.05 -0.01 0.03 -0.06 0.06 -0.05 0.06 -0.00 0.02 0.02 -0.03 0.09 0.04 -0.05 0.03 0.05 -0.06 0.06 0.05 -0.07 0.06 -0.03 -0.02 0.00 0.10 -0.02 0.05 0.00 -0.03 -0.08 0.03 -0.06 0.17 0.02 0.04 -0.04 0.04 0.10 -0.11 -0.08 0.01 0.03 -0.06 0.07 -0.07 0.06 0.07 0.00 -0.08 -0.05 0.07 -0.08 0.06 -0.06 0.10 0.01 0.14 0.07 -0.03 0.01 0.05 -0.12 0.02 0.01 -0.08 -0.12 0.06 -0.08 0.16 0.00 -0.11 0.23 -0.04 0.01 0.23 0.07 0.08 -0.07 0.04 0.16 -0.06 -0.12 0.11 -0.24 -0.10 0.13 -0.06 -0.10 0.08 0.02 -0.13 -0.05 0.07 -0.08 0.07 -0.08 0.09 0.09 -0.10 0.04 -0.07 -0.27 0.03 -0.10 0.14 -0.17 0.11 -0.12 0.20 0.06 0.18 0.06 0.02 -0.08 0.04 0.01 0.06 -0.04 -0.07 -0.10 -0.20 -0.05 0.16 -0.07 0.01 -0.06 0.09 -0.04 -0.05 -0.02 0.05 -0.13 0.11 -0.09 -0.01 -0.06 0.04 -0.07 0.01 0.04 -0.07 -0.02 0.08 -0.00 -0.00 0.02 -0.07 0.03 0.05 0.03 0.07 -0.00 0.00 0.09 0.01 0.02 -0.03 0.16 0.09 -0.05 -0.02 -0.02 -0.01 -0.12 0.05 0.05 -0.04 -0.04 -0.03 0.02 -0.11 0.07 -0.05 0.03 -0.05 -0.13 0.03 -0.13 0.01 -0.11 0.08 0.02 -0.12 -0.01 0.05 -0.08 -0.02 0.08 -0.02 -0.05 0.06 0.06 -0.07 0.20 0.16 -0.04 0.18 0.06 -0.15 0.16 0.13 0.01 -0.08 -0.02 -0.09 -0.19 -0.00 0.11 -0.15 0.17 0.03 -0.11 0.02 0.05 -0.03 -0.05 -0.04 -0.06 -0.03 -0.03 0.04 -0.09 0.11 -0.01 -0.18 0.04 -0.02 0.18 -0.05 -0.21 0.10 -0.25 0.07 -0.16 0.17 0.02 -0.01 0.05 -0.13 0.08 0.22 0.17 0.02 -0.04 0.02 0.04 0.00 -0.06 -0.05 0.03 -0.05 0.03 -0.15 -0.02 0.02 -0.03 0.06 -0.04 0.08 -0.01 0.01 -0.03 -0.06 0.04 -0.14 -0.06 0.06 -0.10 -0.01 -0.02 -0.04 -0.08 0.06 -0.01 -0.02 -0.00 -0.05 -0.04 0.01 -0.09 0.01 0.02 -0.01 0.07 -0.22 -0.01 0.01 -0.01 0.06 0.04 0.01 0.04 -0.00 0.00 0.01 0.05 -0.03 0.08 -0.02 -0.00 -0.02 -0.06 0.05 -0.10 0.07 -0.05 0.08 -0.09 0.09 -0.12 -0.10 0.11 -0.10 -0.01 0.04 0.09 -0.04 0.01 0.09 0.12 -0.25 0.07 0.12 -0.28 0.05 0.03 -0.31 -0.14 0.02 -0.01 0.06 0.11 0.03 -0.08 0.14 -0.03 0.16 -0.10 0.02 0.08 0.04 0.02 -0.01 -0.05 -0.00 0.00 0.06 -0.01 0.08 0.04 -0.04 0.07 0.24 -0.01 0.06 -0.14 0.10 -0.19 0.14 -0.09 0.17 -0.06 -0.06 0.02 0.24 0.07 -0.16 0.19 -0.03 -0.02 -0.19 -0.07 0.02 -0.09 0.12 0.05 0.02 -0.03 0.11 -0.09 0.04 -0.08 -0.01 -0.00 0.01 0.01 -0.03 0.02 -0.05 -0.00 -0.01 0.02 0.08 -0.06 -0.05 -0.01 0.01 0.10 0.05 -0.03 -0.03 -0.03 0.04 0.00 -0.05 0.08 0.08 0.02 -0.01 -0.04 -0.00 0.01 -0.04 0.00 0.04 0.21 -0.02 -0.07 -0.07 0.02 -0.02 -0.03 0.03 0.02 -0.09 -0.00 0.05 -0.07 0.03 -0.08 0.06 -0.05 0.08 -0.14 -0.05 -0.04 0.00 0.10 -0.06 -0.07 -0.02 0.01 0.00 -0.02 0.09 -0.05 -0.05 0.02 -0.07 0.04 0.00 0.01 0.01 -0.01 -0.02 -0.00 0.07 0.33 0.04 -0.24 0.32 -0.17 0.03 0.11 0.05 -0.06 -0.01 0.05 -0.03 -0.12 0.00 -0.02 -0.01 0.05 0.00 -0.05 0.04 0.03 0.27 -0.18 0.05 -0.13 0.05 -0.15 0.14 -0.09 0.18 -0.02 0.14 -0.02 0.10 -0.03 -0.03 0.02 0.00 -0.02 0.16 -0.06 0.05 0.23 -0.22 -0.13 -0.00 -0.07 0.10 -0.11 0.06 0.00 0.01 0.06 0.09 0.03 -0.01 -0.04 -0.02 -0.07 -0.02 0.00 -0.03 -0.02 -0.03 -0.02 -0.08 0.03 -0.05 0.03 -0.07 0.01 -0.10 -0.02 -0.04 0.04 0.00 -0.01 -0.01 -0.09 -0.09 -0.04 -0.13 0.16 0.06 -0.01 -0.01 0.02 -0.15 0.06 0.10 -0.06 0.16 0.07 0.11 -0.11 -0.00 -0.10 0.01 -0.08 0.10 0.02 0.07 -0.04 -0.15 -0.06 -0.01 0.00 -0.02 0.03 -0.01 -0.08 0.00 -0.02 -0.01 -0.10 -0.06 -0.07 -0.05 -0.14 0.03 -0.17 -0.13 -0.06 -0.21 0.21 0.07 -0.01 -0.01 0.03 -0.00 0.00 0.02 -0.01 -0.03 0.02 -0.18 0.09 0.17 -0.15 -0.04 0.11 0.00 0.24 0.04 -0.12 0.12 0.06 0.02 -0.00 -0.01 -0.19 -0.01 -0.16 0.22 0.02 0.14 -0.06 0.11 0.06 -0.03 0.04 0.01 0.15 -0.00 -0.06 0.03 -0.12 -0.05 0.10 -0.06 -0.08 -0.09 0.00 0.06 0.06 -0.04 0.05 -0.06 0.03 -0.09 -0.00 -0.00 0.02 -0.10 0.01 -0.04 -0.06 0.04 -0.10 -0.03 -0.01 0.05 -0.05 0.03 -0.02 -0.03 -0.02 0.15 -0.05 -0.03 0.14 0.00 0.01 -0.02 0.11 -0.00 0.00 0.01 -0.00 -0.06 0.06 -0.02 0.01 0.01 0.01 -0.07 0.01 -0.04 -0.04 0.02 -0.07 0.02 0.10 -0.06 0.13 -0.11 0.06 -0.12 -0.20 -0.01 -0.05 -0.07 0.06 -0.10 -0.10 -0.01 0.09 -0.06 -0.02 0.07 0.17 -0.02 0.10 0.10 0.01 -0.09 0.19 0.00 -0.03 0.01 -0.01 -0.09 0.16 0.02 -0.18 0.19 -0.10 0.17 -0.12 0.02 0.05 -0.02 -0.06 -0.14 0.02 0.11 -0.08 -0.02 -0.09 0.03 0.11 -0.05 -0.06 0.23 -0.07 0.05 0.20 -0.12 0.25 -0.22 0.11 -0.25 0.05 0.14 -0.02 0.13 0.08 -0.08 -0.08 -0.02 0.08 -0.09 -0.04 0.00 -0.07 -0.04 -0.01 -0.01 -0.01 -0.03 0.21 -0.12 0.20 0.16 -0.12 0.16 -0.08 0.09 -0.12 -0.05 0.01 -0.02 -0.06 0.07 0.04 -0.08 -0.02 -0.05 0.02 0.05 -0.00 -0.04 -0.03 -0.09 -0.04 -0.04 -0.05 -0.05 0.02 0.06 -0.22 -0.09 0.01 0.07 0.04 -0.05 0.05 -0.01 -0.01 0.10 -0.02 0.01 0.09 -0.07 0.04 -0.06 -0.04 -0.02 0.05 0.02 0.02 -0.03 0.02 -0.05 -0.04 0.00 -0.02 -0.11 0.10 0.05 -0.08 -0.01 -0.03 -0.08 -0.01 0.08 -0.30 -0.16 -0.05 -0.24 -0.07 0.15 -0.26 -0.12 -0.02 0.03 0.03 -0.13 0.11 0.04 -0.05 0.07 -0.11 -0.02 0.07 0.03 -0.02 -0.02 -0.14 -0.06 0.16 0.11 -0.01 0.13 -0.02 0.04 -0.01 -0.16 0.01 -0.05 -0.18 0.07 0.04 0.05 -0.00 -0.12 0.05 -0.13 0.03 0.02 0.03 0.15 0.09 -0.06 -0.16 -0.05 0.14 -0.02 0.00 0.01 -0.01 -0.02 -0.01 -0.01 -0.02 -0.07 -0.05 0.03 -0.06 -0.05 0.03 -0.06 0.02 -0.02 0.03 -0.04 -0.00 -0.07 -0.08 0.06 0.07 0.01 -0.02 -0.04 0.02 0.05 0.01 0.01 -0.01 0.00 -0.00 -0.01 -0.02 -0.07 0.01 0.10 0.22 -0.08 -0.10 -0.00 -0.02 0.01 -0.01 -0.01 0.04 -0.01 -0.01 0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.01 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.07 -0.15 0.11 0.07 -0.01 0.00 0.01 -0.09 -0.01 0.10 0.42 0.16 -0.02 0.41 -0.31 -0.23 0.05 -0.15 -0.10 -0.01 -0.02 0.00 -0.02 0.02 0.13 -0.07 -0.04 -0.05 0.11 -0.02 0.02 0.02 0.03 0.03 -0.02 -0.05 0.01 -0.03 -0.05 0.04 0.07 0.00 -0.00 -0.14 -0.29 0.10 0.01 -0.02 0.03 0.00 -0.01 0.01 -0.12 -0.12 -0.11 -0.01 0.00 -0.01 -0.00 -0.01 0.00 0.05 0.02 0.00 0.03 0.02 0.01 -0.02 0.00 0.05 0.10 -0.07 0.15 0.12 -0.08 0.17 -0.05 0.05 -0.09 -0.03 -0.00 0.00 -0.02 0.00 -0.00 0.01 0.02 0.03 -0.01 0.00 0.01 -0.02 0.02 0.04 -0.01 0.02 0.05 -0.02 -0.01 0.00 0.20 0.03 -0.03 -0.02 0.08 -0.06 -0.01 -0.01 0.02 -0.01 0.04 -0.02 -0.06 0.10 -0.06 0.01 0.02 0.02 -0.02 0.02 -0.02 0.03 -0.00 0.02 -0.05 -0.02 -0.01 -0.02 0.01 -0.01 0.01 0.02 0.04 -0.02 -0.01 0.01 0.38 0.26 0.03 0.36 -0.17 -0.20 0.07 0.00 0.01 0.00 0.08 -0.00 0.01 -0.01 -0.04 0.03 -0.02 0.07 -0.08 -0.00 0.03 -0.11 -0.08 -0.11 0.03 0.16 -0.04 0.04 0.25 -0.22 -0.34 0.08 -0.01 0.01 -0.04 0.01 -0.07 0.05 -0.09 0.02 0.01 0.00 -0.01 -0.00 -0.00 -0.01 0.01 -0.00 0.03 -0.01 -0.01 -0.00 -0.01 0.00 0.01 0.01 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.01 0.01 -0.01 0.00 0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.01 0.01 0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.01 -0.00 -0.01 0.01 0.02 -0.01 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 -0.01 0.01 -0.01 -0.00 0.01 -0.01 -0.02 0.00 0.01 0.01 0.01 0.01 -0.04 -0.18 0.06 -0.11 0.13 0.00 0.18 0.01 -0.07 -0.00 0.01 -0.00 -0.18 0.03 0.50 -0.31 0.16 -0.35 0.45 -0.16 -0.07 -0.01 -0.01 -0.02 -0.01 0.02 -0.01 0.00 0.01 -0.01 -0.02 0.01 -0.00 0.14 -0.33 0.06 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.03 -0.00 0.01 -0.00 -0.04 -0.00 0.03 -0.01 -0.02 0.01 -0.00 -0.01 0.01 0.00 0.00 -0.03 -0.01 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 0.01 0.01 0.01 -0.01 0.02 0.00 0.01 -0.01 0.02 -0.03 0.03 0.01 -0.02 -0.01 -0.01 0.00 0.02 0.05 0.01 -0.00 -0.01 0.01 -0.02 0.00 -0.00 0.00 0.00 -0.01 0.03 -0.03 0.02 -0.02 0.00 -0.02 0.00 -0.01 0.00 -0.01 0.01 -0.01 0.01 0.02 0.03 0.01 -0.01 -0.00 0.01 -0.03 -0.02 0.03 -0.01 -0.00 0.01 -0.09 -0.46 0.18 -0.29 0.41 -0.02 0.56 0.09 -0.17 -0.02 0.02 -0.02 0.06 -0.01 -0.16 0.10 -0.06 0.13 -0.16 0.06 0.03 -0.02 0.02 0.08 0.04 -0.06 0.04 -0.01 0.04 -0.06 -0.07 0.03 -0.01 -0.07 0.07 -0.00 -0.03 0.01 -0.03 0.02 -0.01 0.03 -0.04 -0.03 0.07 0.21 0.02 0.02 0.04 -0.04 -0.06 0.07 0.24 -0.02 -0.11 -0.14 -0.07 -0.00 -0.04 0.08 0.02 -0.02 0.03 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.05 0.02 0.01 -0.04 -0.02 0.01 0.00 0.02 0.04 -0.03 0.06 -0.04 0.05 -0.02 -0.10 0.07 -0.11 -0.00 -0.06 -0.04 0.04 0.04 -0.00 -0.00 -0.01 0.05 -0.06 -0.06 0.05 -0.04 0.05 -0.10 0.05 -0.03 0.06 -0.09 0.09 -0.11 0.02 -0.02 0.03 -0.02 0.02 -0.03 -0.04 -0.09 0.00 0.05 -0.01 -0.04 0.04 0.00 -0.01 0.00 -0.06 -0.04 -0.04 -0.22 0.10 -0.16 0.27 -0.04 0.34 0.10 -0.08 0.04 -0.03 0.07 -0.10 -0.07 0.10 -0.06 0.05 0.09 -0.10 -0.13 0.08 0.00 -0.06 -0.29 -0.15 0.23 -0.14 0.02 -0.07 0.11 0.12 -0.04 0.04 -0.04 0.31 -0.08 0.04 -0.04 0.06 -0.04 0.04 -0.07 -0.00 0.03 -0.01 -0.03 0.01 0.00 0.04 -0.03 0.04 -0.03 -0.02 0.01 -0.06 -0.10 -0.00 0.00 0.01 -0.03 -0.01 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.01 0.01 0.03 0.01 0.02 0.02 0.00 -0.03 0.05 -0.00 0.01 -0.01 0.01 -0.05 0.03 -0.02 -0.03 -0.04 0.03 0.03 0.02 0.04 0.04 0.02 -0.01 0.02 -0.02 0.07 0.03 -0.06 -0.00 -0.00 0.02 -0.02 0.01 -0.01 -0.04 -0.05 -0.03 -0.01 -0.00 -0.01 0.01 0.00 0.00 0.02 0.05 0.05 0.01 -0.02 0.02 -0.04 -0.04 0.04 0.04 0.05 0.05 0.09 0.17 -0.01 0.10 -0.03 -0.07 -0.03 0.07 0.10 -0.02 0.02 -0.02 0.02 0.05 0.13 -0.07 0.01 -0.27 0.34 0.01 -0.13 -0.02 0.01 0.04 0.02 -0.03 0.02 -0.01 0.02 -0.03 -0.04 0.01 -0.01 -0.21 0.75 -0.09 -0.01 -0.00 -0.01 0.02 0.00 0.01 -0.01 -0.02 0.02 0.01 0.01 -0.02 -0.00 -0.07 0.03 0.01 -0.04 -0.00 0.08 0.13 0.02 -0.01 0.01 0.00 0.01 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.05 -0.02 0.01 -0.01 -0.02 0.03 -0.07 -0.01 0.01 0.00 -0.02 0.04 -0.04 0.03 0.02 0.06 -0.00 -0.03 0.01 -0.03 -0.08 -0.05 -0.00 -0.01 0.02 -0.02 -0.03 0.02 -0.02 0.02 -0.05 0.02 -0.01 0.02 0.05 0.03 0.05 0.01 -0.01 0.01 -0.01 0.01 -0.01 0.01 -0.03 -0.07 -0.04 0.02 -0.01 0.01 0.05 -0.05 -0.00 -0.02 0.04 -0.06 -0.22 0.01 -0.08 -0.01 0.03 0.05 -0.12 -0.17 0.02 -0.01 0.03 -0.05 -0.02 0.13 -0.07 0.02 -0.03 0.07 -0.09 0.01 0.00 -0.03 -0.13 -0.07 0.10 -0.06 0.01 -0.01 0.04 0.03 -0.01 0.01 -0.29 0.79 -0.13 0.01 -0.01 0.02 -0.02 0.01 -0.03 0.00 0.02 -0.05 0.10 0.09 0.01 0.04 -0.09 -0.08 0.01 0.01 0.00 0.01 0.01 -0.00 -0.04 0.01 -0.02 0.01 0.02 -0.05 0.01 -0.01 -0.02 0.00 0.01 0.02 -0.05 0.03 -0.01 -0.05 0.01 -0.06 -0.01 0.01 0.05 -0.01 0.05 -0.01 0.01 -0.00 0.06 -0.01 0.01 0.03 -0.04 -0.08 -0.05 -0.04 0.04 0.07 0.04 -0.02 -0.06 -0.10 -0.09 0.10 0.09 -0.08 0.14 -0.02 -0.00 -0.07 -0.00 0.01 0.01 0.00 0.04 -0.03 0.01 -0.03 0.03 -0.10 0.05 -0.00 -0.01 0.04 -0.07 -0.04 0.01 0.06 -0.07 -0.09 -0.01 -0.03 0.15 -0.01 0.03 -0.04 0.07 -0.15 0.04 0.14 -0.00 -0.01 -0.07 -0.14 -0.08 0.23 -0.11 0.07 0.14 -0.12 -0.25 0.14 0.04 0.08 0.43 0.25 -0.35 0.20 -0.01 0.01 -0.11 -0.06 0.01 -0.05 -0.02 0.24 -0.07 -0.00 0.07 -0.05 0.02 -0.06 0.07 -0.03 -0.02 -0.03 -0.07 -0.07 -0.05 0.01 0.05 0.05 0.04 0.07 -0.04 -0.02 -0.02 -0.04 -0.04 -0.02 0.20 0.03 0.02 -0.05 0.02 -0.01 -0.04 0.01 0.03 0.03 -0.05 -0.04 -0.00 -0.02 0.01 0.02 -0.03 0.05 -0.07 -0.04 -0.04 0.07 -0.07 0.09 -0.06 -0.08 0.05 0.05 -0.00 0.06 0.04 0.03 -0.06 -0.08 0.04 -0.05 -0.01 0.08 0.05 -0.07 0.10 -0.08 0.14 0.06 -0.07 -0.01 -0.05 0.05 -0.01 0.03 0.05 -0.01 0.01 -0.02 0.02 -0.08 -0.18 -0.07 -0.07 0.05 0.02 0.03 0.07 -0.06 -0.01 0.06 0.06 0.04 -0.19 0.05 -0.02 0.00 -0.05 0.14 -0.10 -0.21 0.03 -0.04 -0.02 0.10 0.08 -0.06 0.02 -0.07 -0.18 0.21 0.13 -0.13 0.06 0.07 0.41 0.24 -0.35 0.20 0.04 -0.11 0.05 0.13 -0.09 -0.03 0.00 0.08 0.05 0.05 0.08 -0.01 -0.01 -0.05 0.04 0.00 0.04 0.08 0.06 -0.06 0.04 0.02 0.06 0.05 0.12 0.16 0.02 0.05 0.12 -0.02 -0.04 -0.12 -0.11 0.02 -0.02 -0.03 0.01 -0.05 -0.01 -0.03 0.00 0.02 -0.06 -0.12 -0.05 -0.08 -0.04 -0.02 -0.02 -0.11 0.01 -0.00 -0.09 -0.03 0.02 -0.09 0.14 -0.00 -0.02 0.02 -0.04 0.04 0.06 -0.07 -0.02 0.00 0.02 -0.03 -0.02 0.06 0.03 -0.08 0.03 -0.03 -0.02 -0.10 0.10 -0.12 0.03 0.11 -0.00 0.00 0.02 -0.01 -0.02 -0.04 0.01 -0.07 -0.07 -0.03 -0.16 -0.05 0.00 -0.07 -0.14 -0.02 -0.05 0.03 0.09 -0.13 -0.00 -0.09 -0.09 0.00 0.03 -0.10 0.02 0.09 0.04 -0.02 0.00 0.09 0.06 -0.10 0.00 -0.14 -0.21 0.21 0.14 -0.15 0.04 -0.02 -0.02 0.02 -0.04 -0.02 -0.05 0.21 -0.39 -0.35 0.26 0.02 0.04 0.07 0.08 0.01 0.06 -0.02 -0.06 -0.07 0.02 0.12 -0.02 0.07 -0.04 0.02 -0.04 -0.01 -0.03 -0.01 -0.02 -0.05 -0.02 -0.03 -0.10 -0.01 -0.01 0.04 0.13 0.02 -0.03 -0.03 0.01 -0.06 -0.02 -0.03 0.00 0.02 0.00 0.04 0.00 0.01 0.04 -0.00 0.03 0.08 -0.03 -0.02 0.04 0.04 0.02 0.07 -0.05 -0.03 0.02 0.03 -0.00 -0.00 -0.02 -0.00 -0.01 -0.01 0.04 -0.06 0.04 -0.01 -0.00 0.03 0.03 -0.02 -0.07 -0.12 0.14 -0.12 -0.05 -0.05 0.00 0.00 0.02 -0.01 -0.04 -0.05 0.01 -0.03 -0.05 -0.04 0.02 0.08 -0.01 0.05 0.10 -0.02 -0.00 -0.00 -0.01 -0.01 -0.05 0.01 0.01 -0.02 0.07 -0.03 -0.06 -0.07 0.07 -0.06 0.09 -0.01 0.00 0.05 0.01 0.04 0.07 -0.05 -0.05 0.05 0.10 -0.06 -0.20 -0.08 0.08 -0.10 -0.06 0.28 -0.50 -0.42 0.38 0.08 -0.02 -0.00 -0.02 0.02 0.07 -0.02 -0.08 -0.08 0.02 0.16 -0.06 -0.10 0.01 -0.00 -0.00 0.02 0.02 0.03 0.03 0.01 -0.03 0.01 -0.01 -0.02 -0.09 -0.08 0.03 -0.09 0.04 0.09 -0.06 0.09 0.07 0.04 -0.06 -0.07 -0.10 -0.05 -0.06 -0.14 0.02 -0.06 0.09 0.03 0.06 -0.06 -0.03 -0.00 0.09 0.08 -0.01 -0.04 0.01 0.08 -0.10 0.03 0.05 -0.00 0.06 0.12 0.04 -0.03 -0.03 0.02 -0.00 -0.03 0.03 0.08 -0.04 -0.04 -0.07 0.05 -0.04 0.03 0.04 -0.08 -0.09 -0.01 0.07 0.06 -0.01 -0.22 -0.10 -0.09 -0.23 0.07 -0.05 0.13 0.06 0.08 -0.15 0.01 0.13 -0.11 0.03 -0.00 -0.05 0.12 0.22 -0.03 0.09 0.20 0.06 -0.06 -0.08 0.07 0.07 -0.01 -0.02 -0.14 -0.12 0.14 0.03 -0.07 0.09 0.02 -0.19 0.02 0.26 -0.08 -0.11 -0.17 0.11 0.04 -0.13 -0.00 0.05 0.09 0.09 -0.16 -0.20 -0.05 0.20 0.14 -0.01 0.01 -0.01 -0.00 0.07 0.05 -0.01 0.09 0.21 -0.02 -0.02 -0.07 -0.00 0.02 -0.01 0.01 -0.03 0.02 -0.07 0.02 -0.01 -0.02 0.01 -0.02 -0.02 -0.01 0.01 0.02 0.02 0.02 0.04 -0.05 -0.05 0.11 0.01 0.05 -0.00 -0.05 0.01 0.06 -0.01 0.05 -0.06 -0.02 0.03 -0.01 -0.03 -0.14 0.09 0.02 0.01 0.01 -0.01 0.01 0.02 -0.10 -0.16 -0.13 -0.02 -0.02 -0.00 0.02 0.02 0.00 0.00 -0.03 0.03 0.02 0.02 0.00 -0.02 -0.01 0.00 0.12 0.06 0.06 -0.01 -0.04 0.10 0.06 0.06 0.00 -0.08 -0.21 0.05 0.04 -0.02 0.05 0.02 0.01 0.01 0.05 -0.01 -0.03 -0.02 0.02 0.04 -0.22 -0.36 -0.26 -0.22 -0.24 -0.33 0.02 0.19 -0.25 -0.02 -0.01 -0.00 -0.04 -0.03 -0.00 0.03 0.04 -0.00 0.01 0.03 0.01 0.25 0.15 0.19 0.04 0.05 0.01 -0.05 -0.03 0.00 -0.01 -0.03 -0.03 0.05 -0.01 0.06 -0.04 -0.04 0.05 -0.01 -0.06 -0.02 0.02 -0.04 -0.00 -0.06 -0.05 -0.08 0.07 -0.05 -0.09 0.06 -0.08 -0.08 -0.05 0.05 0.08 -0.00 -0.04 -0.07 -0.04 -0.04 -0.10 0.14 0.05 0.04 -0.00 -0.05 -0.11 0.03 0.12 -0.06 -0.03 0.04 0.04 -0.01 0.06 0.02 0.01 0.07 0.12 -0.09 0.09 0.08 0.05 0.06 0.01 -0.12 -0.06 0.00 0.10 0.07 0.05 -0.03 -0.01 0.05 0.07 0.08 0.02 -0.09 -0.06 0.00 -0.06 -0.03 -0.06 -0.15 -0.11 -0.06 0.25 0.09 0.05 0.00 0.08 0.04 -0.11 0.02 -0.02 -0.04 0.14 0.24 -0.01 0.10 0.20 -0.15 0.14 0.15 0.10 0.13 0.03 0.06 -0.00 0.01 0.08 0.02 0.01 -0.15 -0.06 0.02 -0.22 -0.14 0.01 0.18 0.15 0.14 0.16 0.03 0.01 -0.09 -0.05 -0.01 0.17 0.20 0.07 -0.23 -0.13 -0.00 0.14 -0.01 -0.07 -0.08 -0.02 -0.07 0.06 -0.02 -0.07 0.04 0.06 0.04 0.01 0.11 0.01 0.04 -0.02 0.11 0.03 -0.03 -0.06 0.03 -0.05 -0.05 -0.04 0.02 0.05 -0.11 -0.00 0.08 -0.07 0.10 0.05 -0.13 -0.11 0.08 -0.01 0.02 0.12 -0.02 -0.14 -0.07 0.04 -0.10 -0.09 -0.11 0.02 -0.03 0.04 0.02 -0.00 -0.06 0.09 0.06 -0.01 -0.03 0.01 -0.11 -0.03 -0.03 0.08 0.05 0.07 0.06 0.01 -0.05 0.03 0.04 0.02 -0.06 -0.04 -0.00 -0.19 -0.01 0.07 0.02 0.24 0.00 -0.22 -0.13 0.10 -0.16 -0.00 0.05 0.17 0.13 0.09 0.04 0.00 -0.29 0.15 0.10 0.07 -0.14 0.14 0.08 0.05 0.07 0.07 0.00 -0.07 0.02 0.02 -0.13 0.02 -0.11 -0.06 -0.08 -0.23 -0.02 -0.04 0.13 0.09 0.18 0.16 -0.01 0.02 0.12 0.09 0.04 0.09 0.11 0.05 -0.16 -0.08 -0.01 0.03 -0.04 -0.05 -0.07 0.04 -0.06 -0.02 0.05 0.03 0.01 0.09 -0.03 -0.07 -0.08 -0.04 0.03 0.01 0.04 0.00 -0.02 -0.02 0.02 -0.01 -0.01 -0.02 0.01 0.02 0.05 0.01 -0.13 0.05 0.06 0.00 0.08 -0.00 -0.09 0.01 0.08 0.08 0.17 -0.08 0.31 0.05 -0.03 0.16 0.08 -0.07 0.02 -0.07 -0.06 -0.07 -0.06 0.11 -0.03 -0.04 -0.05 -0.01 -0.10 -0.00 -0.00 0.05 0.02 0.02 -0.07 0.04 -0.03 0.01 0.01 0.01 -0.03 -0.01 0.00 0.03 -0.07 -0.17 -0.03 0.24 -0.02 -0.10 -0.07 -0.11 0.07 -0.11 -0.02 -0.21 -0.13 -0.21 -0.05 -0.08 0.24 -0.26 -0.15 -0.10 -0.12 0.15 -0.00 -0.17 -0.22 -0.06 -0.08 0.07 -0.03 -0.09 0.06 -0.02 -0.16 -0.02 0.03 -0.10 -0.04 0.00 0.08 0.02 0.18 0.13 -0.11 -0.07 -0.04 0.00 -0.01 0.03 0.04 0.03 -0.06 -0.03 0.00 -0.09 0.01 0.04 -0.03 -0.07 -0.11 0.05 -0.04 -0.11 -0.03 -0.04 -0.01 0.01 -0.02 0.02 0.04 -0.07 -0.14 0.01 0.00 0.01 0.00 0.00 0.00 0.01 0.01 -0.01 0.04 -0.07 -0.07 -0.05 0.12 0.14 0.16 -0.01 -0.03 -0.01 -0.01 0.31 0.05 0.05 -0.01 0.02 0.04 -0.05 -0.13 0.06 -0.06 0.02 0.02 0.05 -0.00 -0.02 -0.01 0.01 0.03 0.02 0.01 -0.00 0.01 -0.01 -0.01 -0.02 0.02 -0.00 0.01 0.01 0.00 -0.00 0.01 0.00 0.00 0.12 -0.04 -0.05 0.03 0.57 0.04 0.25 0.02 -0.03 -0.13 0.09 -0.01 -0.14 -0.03 -0.13 -0.04 0.09 0.22 -0.04 0.05 0.15 0.02 -0.03 -0.00 0.16 0.23 0.09 0.08 -0.06 0.08 0.03 -0.15 0.05 0.00 0.01 0.04 0.04 -0.02 0.02 -0.02 -0.01 -0.04 -0.03 0.01 -0.00 0.12 0.07 0.03 0.00 0.00 -0.00 0.02 0.01 0.00 0.06 -0.03 -0.03 0.07 -0.00 0.03 0.04 -0.06 -0.10 0.00 -0.00 -0.03 -0.00 -0.04 -0.02 -0.07 0.01 -0.10 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.05 0.02 0.18 -0.02 -0.09 0.14 -0.08 0.08 -0.05 -0.05 -0.05 -0.02 0.04 0.03 0.11 -0.02 0.04 0.10 -0.12 0.08 -0.05 -0.03 -0.05 -0.11 -0.02 0.04 -0.02 0.04 0.07 0.01 -0.03 0.00 -0.01 0.01 0.01 -0.00 -0.06 0.03 0.05 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.31 0.11 0.24 0.19 -0.29 0.13 -0.10 0.03 -0.14 -0.06 0.15 -0.05 0.06 -0.11 0.07 0.04 -0.13 -0.05 -0.06 -0.19 -0.33 -0.04 0.06 -0.01 0.23 0.31 0.07 0.11 -0.10 0.05 0.10 -0.11 0.03 -0.06 -0.00 0.01 -0.02 -0.01 -0.00 0.02 0.00 0.06 0.04 -0.05 -0.04 0.12 0.01 0.03 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.07 -0.07 0.14 0.01 -0.04 0.02 0.00 0.00 0.01 -0.02 -0.02 0.01 0.00 0.00 0.02 0.03 0.02 0.05 0.01 0.04 -0.02 0.06 -0.02 0.07 0.05 0.06 -0.03 -0.02 0.02 -0.02 -0.03 0.01 -0.04 -0.00 0.05 -0.00 0.03 -0.04 -0.03 -0.00 0.01 -0.02 0.02 0.02 -0.08 -0.05 0.01 0.02 0.01 0.01 0.02 -0.18 0.09 -0.23 -0.01 -0.02 -0.00 -0.14 0.06 0.01 -0.07 -0.12 -0.14 0.04 -0.01 -0.03 0.07 0.03 0.02 0.04 0.05 -0.02 -0.06 -0.02 -0.04 -0.06 -0.00 -0.03 -0.01 0.06 0.01 -0.07 -0.00 0.05 0.01 -0.01 0.04 0.02 -0.00 0.05 -0.01 -0.02 -0.02 -0.10 0.04 -0.21 0.02 0.01 -0.00 -0.01 -0.07 -0.02 0.02 -0.01 -0.01 -0.41 0.13 0.34 0.15 -0.20 0.08 -0.02 -0.11 0.08 -0.06 -0.39 -0.31 0.02 0.02 0.04 0.11 -0.00 0.07 0.02 0.09 -0.08 0.01 -0.01 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.01 0.16 -0.15 0.23 -0.14 0.15 -0.23 -0.00 0.04 0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.01 -0.00 0.01 0.00 0.01 -0.01 -0.01 0.00 0.00 -0.00 0.01 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 -0.03 -0.00 -0.01 -0.00 -0.04 -0.08 0.01 0.02 0.02 -0.09 0.01 -0.00 -0.01 -0.08 0.09 -0.08 0.09 -0.03 0.13 -0.02 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.01 0.00 -0.02 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.09 0.04 0.03 0.00 0.00 -0.00 -0.00 -0.02 -0.00 0.00 -0.00 -0.00 -0.18 -0.23 -0.10 0.01 0.09 -0.02 -0.06 -0.12 0.09 0.27 0.01 -0.15 0.01 0.00 0.01 -0.24 0.24 -0.31 0.29 -0.18 0.42 0.06 -0.03 0.02 -0.02 0.17 -0.06 -0.02 -0.00 -0.00 0.07 -0.00 -0.00 0.03 0.05 -0.05 -0.15 -0.06 -0.09 0.02 0.01 0.01 0.01 0.01 0.00 0.02 0.03 -0.01 0.02 -0.11 0.04 0.11 -0.05 0.07 0.03 -0.19 0.03 -0.13 0.12 0.13 -0.10 0.02 -0.10 -0.15 -0.02 0.06 0.22 -0.04 -0.05 0.00 -0.02 -0.01 -0.07 -0.00 -0.05 0.06 0.08 0.01 -0.05 0.00 0.00 -0.03 -0.05 -0.04 -0.10 0.02 0.12 0.02 0.02 0.00 0.03 0.02 0.00 0.07 -0.03 0.09 0.15 0.03 0.05 0.15 -0.15 0.04 0.29 -0.01 -0.18 -0.03 0.08 -0.13 -0.08 0.07 -0.22 0.11 0.16 0.22 -0.04 -0.01 -0.05 -0.10 -0.10 0.00 0.04 0.33 0.06 -0.08 0.11 0.04 -0.12 0.01 0.07 0.01 -0.04 0.02 -0.02 -0.05 0.02 -0.01 -0.11 -0.09 -0.13 -0.10 -0.19 0.03 0.02 0.01 0.04 0.02 0.01 0.01 -0.04 0.06 0.02 -0.01 -0.01 -0.01 0.00 0.01 -0.01 -0.02 0.01 0.02 0.01 0.01 -0.02 0.01 0.00 -0.01 -0.04 0.04 -0.03 -0.03 -0.01 -0.03 -0.21 0.13 -0.01 -0.01 -0.02 0.01 -0.01 -0.01 -0.01 0.01 0.00 -0.02 -0.01 0.04 -0.02 0.02 -0.00 -0.04 0.03 -0.07 0.04 -0.01 -0.01 0.00 0.01 0.01 0.11 0.25 -0.11 0.01 0.02 0.00 0.13 0.12 0.00 0.12 0.10 -0.01 0.01 -0.01 0.00 -0.14 -0.06 -0.10 -0.14 -0.05 -0.05 -0.02 -0.01 -0.02 -0.01 0.03 -0.01 0.01 0.02 0.01 0.05 -0.00 -0.03 0.01 0.00 0.02 0.00 0.00 0.00 0.01 0.01 0.01 0.16 0.24 -0.08 -0.02 -0.02 -0.00 0.01 0.06 0.01 -0.01 0.03 0.00 -0.06 0.12 0.17 0.33 0.02 0.04 0.13 0.10 0.15 0.16 -0.08 -0.12 -0.03 -0.02 -0.04 -0.32 0.03 -0.31 -0.30 0.03 -0.23 -0.01 0.02 -0.02 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.01 -0.00 0.01 -0.00 0.00 0.06 -0.02 0.05 0.05 -0.01 0.05 0.20 -0.04 0.19 0.01 0.00 0.01 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.01 0.01 -0.02 0.01 -0.01 -0.00 0.02 -0.01 0.03 -0.02 0.00 0.00 -0.00 -0.00 -0.01 -0.06 -0.11 0.04 -0.01 -0.01 -0.00 -0.06 -0.06 0.02 -0.04 -0.06 0.00 -0.01 0.00 -0.00 -0.06 0.13 -0.13 -0.05 0.12 -0.14 0.01 0.00 0.01 0.00 -0.02 0.01 0.00 -0.01 -0.00 -0.02 0.00 0.01 -0.01 -0.00 -0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.08 -0.11 0.02 0.01 0.01 0.00 -0.00 -0.03 -0.00 0.00 -0.01 -0.00 -0.01 -0.09 -0.08 -0.12 0.02 -0.00 -0.03 -0.04 -0.07 -0.09 0.00 0.05 0.01 0.01 0.02 -0.28 0.31 -0.42 -0.28 0.29 -0.47 -0.03 -0.00 0.02 -0.05 0.16 0.01 0.02 -0.01 -0.02 0.01 0.01 0.04 -0.02 0.04 0.00 -0.01 0.05 0.16 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 -0.01 -0.00 0.11 -0.05 0.07 -0.03 -0.04 0.02 0.23 -0.15 -0.05 -0.05 0.11 -0.14 0.01 -0.04 -0.02 -0.02 -0.04 -0.02 -0.17 0.05 0.03 0.01 -0.04 -0.08 0.01 0.02 -0.01 -0.03 -0.03 -0.01 0.02 0.02 0.00 0.01 0.01 -0.00 0.04 -0.05 -0.06 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.17 -0.10 0.05 -0.01 -0.28 0.05 0.31 -0.14 -0.08 -0.16 0.09 0.08 -0.22 -0.04 -0.39 -0.09 0.09 0.04 -0.04 0.10 0.18 0.03 0.01 -0.00 0.15 0.19 0.01 0.01 -0.28 -0.03 0.09 -0.10 -0.02 -0.01 0.02 0.03 0.05 -0.00 0.01 0.01 0.01 0.02 0.02 -0.01 -0.01 0.13 0.06 0.15 -0.01 -0.02 -0.00 -0.00 -0.02 0.01 -0.03 -0.01 0.07 -0.12 0.00 0.01 0.02 0.01 -0.01 0.04 0.10 -0.08 -0.06 -0.10 -0.08 0.13 -0.12 -0.13 0.02 0.00 0.01 -0.02 -0.02 -0.02 -0.03 -0.04 -0.00 -0.01 -0.02 0.07 0.02 0.16 0.05 -0.05 -0.05 0.03 0.22 0.07 -0.16 -0.05 0.05 -0.30 0.23 -0.15 0.40 -0.08 0.02 0.01 0.01 0.01 0.03 0.00 0.07 -0.04 -0.05 -0.10 -0.01 0.04 0.09 0.02 -0.00 0.00 -0.02 -0.18 0.11 0.10 0.00 -0.02 -0.02 -0.02 -0.04 -0.00 -0.01 0.08 0.11 0.09 0.07 0.05 0.12 0.02 0.06 -0.17 -0.05 0.08 0.09 0.09 0.08 -0.02 0.04 -0.20 0.14 0.10 0.11 0.09 0.03 -0.04 -0.04 -0.08 0.02 -0.05 -0.11 -0.00 -0.05 -0.15 -0.00 -0.07 0.10 0.13 0.15 -0.00 0.04 0.01 0.01 0.03 0.01 -0.05 -0.06 0.08 0.06 0.10 -0.02 -0.02 -0.04 -0.02 -0.05 0.01 0.01 -0.00 -0.03 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.00 -0.01 0.01 0.00 0.18 0.02 0.00 -0.10 -0.10 -0.13 0.03 -0.03 -0.04 0.00 0.01 -0.01 -0.00 -0.02 -0.00 0.00 0.02 -0.00 -0.02 -0.01 0.02 0.02 -0.01 0.04 -0.01 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.07 0.06 0.10 0.01 0.01 0.00 0.06 0.33 0.13 -0.30 -0.12 0.19 0.01 -0.01 -0.02 0.17 0.06 -0.12 -0.01 -0.20 -0.08 0.01 -0.00 -0.01 -0.01 -0.01 -0.00 -0.03 -0.00 -0.01 0.02 0.00 -0.01 -0.01 -0.01 0.01 0.01 -0.01 0.04 -0.02 -0.02 -0.03 0.15 -0.16 -0.20 0.00 0.01 -0.00 0.00 0.01 -0.00 0.01 0.02 -0.00 0.00 0.27 0.09 -0.05 0.22 0.14 -0.19 0.01 0.18 -0.19 -0.06 0.20 -0.01 -0.01 -0.01 0.16 0.11 -0.17 0.01 -0.26 -0.01 0.03 -0.01 -0.02 -0.00 -0.04 0.01 0.00 0.01 0.03 -0.16 -0.04 -0.17 0.15 -0.17 0.12 0.05 0.07 0.02 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.02 0.02 0.01 0.07 -0.04 -0.02 -0.25 0.08 0.08 -0.02 -0.03 -0.03 0.09 0.09 -0.03 0.22 -0.09 -0.03 0.01 0.00 -0.05 -0.09 -0.12 0.00 0.01 0.01 -0.02 -0.04 -0.00 -0.00 -0.00 0.00 -0.02 0.00 0.01 0.03 0.26 0.17 0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.11 0.12 0.08 0.01 0.09 -0.05 0.04 -0.19 0.14 -0.07 -0.01 0.06 -0.08 0.08 -0.30 -0.17 0.04 -0.47 0.09 0.17 0.23 -0.01 0.02 0.01 -0.02 -0.03 0.00 -0.02 -0.06 -0.01 -0.02 -0.06 -0.00 0.02 -0.01 -0.03 -0.04 0.02 -0.00 -0.04 -0.02 -0.01 -0.03 0.02 0.02 0.01 0.01 0.04 0.01 0.01 0.00 -0.01 -0.00 -0.02 0.01 -0.00 0.00 -0.01 0.13 -0.03 -0.01 -0.01 -0.03 -0.24 0.10 -0.07 -0.00 -0.15 0.22 -0.08 -0.06 -0.04 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.11 -0.16 0.02 -0.03 -0.17 0.02 -0.04 0.02 0.00 -0.12 0.06 0.08 -0.06 0.08 -0.06 0.22 0.00 0.26 0.06 -0.03 -0.00 -0.00 0.01 0.03 0.00 0.01 0.00 0.04 0.08 0.01 -0.00 0.01 0.00 0.01 0.01 -0.02 0.44 0.09 -0.41 -0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.11 -0.21 -0.00 -0.07 -0.23 0.04 0.11 0.04 -0.06 0.13 0.01 -0.09 0.04 0.00 0.10 0.01 -0.01 -0.01 0.03 -0.01 -0.02 0.01 0.01 0.02 0.02 0.05 -0.02 0.03 0.09 -0.01 0.05 0.15 -0.00 -0.01 0.01 0.01 0.00 0.01 0.01 -0.01 -0.02 -0.03 -0.00 0.01 -0.02 -0.04 -0.03 -0.08 -0.00 -0.01 0.00 -0.02 0.01 -0.01 0.01 -0.00 -0.00 0.11 -0.09 -0.00 -0.01 -0.00 0.01 0.01 0.03 0.01 -0.04 -0.01 -0.02 -0.02 0.19 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.15 0.25 -0.17 -0.02 -0.12 -0.08 0.00 -0.12 0.03 -0.14 -0.10 0.14 -0.09 -0.04 -0.08 0.05 -0.04 0.19 -0.05 -0.00 0.02 -0.00 -0.04 0.01 -0.01 -0.01 -0.00 -0.01 0.04 0.01 -0.00 0.01 0.00 0.01 0.00 -0.01 -0.02 -0.01 -0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.21 0.33 -0.14 -0.09 0.05 -0.09 -0.15 -0.04 0.29 0.04 0.09 -0.00 -0.03 0.12 -0.17 -0.10 0.06 -0.26 0.10 0.19 0.32 0.00 -0.01 0.01 0.13 0.18 -0.03 0.01 -0.18 -0.02 0.10 0.06 -0.02 -0.00 0.01 0.01 0.01 0.01 0.01 0.02 0.00 -0.01 0.01 0.00 -0.01 0.01 0.00 0.04 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 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 0.06 0.07 0.09 -0.02 -0.04 -0.09 -0.09 -0.00 -0.01 -0.00 0.02 -0.01 0.02 -0.00 0.01 -0.00 0.01 0.00 -0.00 -0.01 0.02 0.00 0.02 -0.01 0.01 -0.02 0.01 -0.00 -0.00 -0.00 -0.00 -0.02 -0.06 -0.21 0.10 0.00 -0.00 -0.00 -0.14 0.28 0.18 0.22 -0.03 -0.27 -0.00 -0.01 0.00 0.01 -0.06 -0.02 -0.04 -0.02 0.05 -0.03 0.01 0.02 0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.02 0.01 -0.01 -0.01 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02 0.10 -0.25 0.25 -0.02 -0.03 0.00 -0.00 0.03 0.00 -0.01 0.00 0.00 -0.03 0.27 0.06 -0.15 0.34 0.18 0.23 -0.02 -0.26 0.19 0.09 -0.20 -0.01 -0.00 -0.01 -0.04 -0.08 -0.06 -0.15 -0.01 -0.02 0.02 -0.01 -0.01 0.04 -0.12 0.03 -0.00 0.00 -0.00 0.03 -0.01 0.09 -0.07 0.05 -0.02 -0.06 0.05 -0.06 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.05 0.03 0.14 -0.05 0.20 0.02 0.09 -0.05 0.05 0.05 -0.09 -0.06 -0.04 0.13 0.04 -0.06 0.06 0.11 0.06 -0.01 -0.01 -0.02 -0.06 -0.14 -0.01 0.00 -0.01 0.04 -0.02 -0.01 0.01 -0.01 -0.01 -0.01 0.00 0.02 0.08 -0.14 -0.16 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.12 0.21 0.22 0.00 0.24 -0.00 0.27 0.02 0.07 -0.12 -0.19 0.07 -0.15 -0.02 -0.35 -0.11 0.05 -0.16 -0.02 0.06 0.06 -0.00 -0.00 -0.01 -0.20 -0.27 0.03 -0.02 0.33 0.02 -0.13 0.02 0.03 0.01 -0.01 -0.00 0.03 -0.01 -0.01 0.01 0.02 0.03 -0.00 -0.01 0.01 -0.04 -0.01 -0.06 0.00 -0.00 0.01 0.02 -0.01 0.02 0.01 -0.00 -0.01 -0.01 0.02 -0.02 0.03 0.05 0.19 0.01 -0.01 0.03 -0.02 0.02 -0.01 -0.02 -0.02 -0.06 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 -0.05 0.04 0.11 -0.03 -0.15 -0.02 0.00 0.03 0.01 0.03 0.09 -0.01 0.05 0.02 -0.03 0.03 0.03 -0.04 0.08 -0.11 -0.03 0.00 -0.02 -0.00 -0.00 0.00 -0.10 -0.12 -0.06 0.00 0.00 0.00 0.00 -0.00 -0.00 0.03 -0.05 -0.05 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.06 0.04 0.08 0.33 0.10 -0.22 0.05 -0.01 -0.05 0.11 0.31 0.04 0.06 0.02 0.10 0.01 -0.05 -0.10 0.02 -0.03 -0.11 -0.00 -0.00 0.00 0.17 0.24 0.06 0.04 -0.36 0.07 -0.01 -0.51 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 -0.05 -0.04 0.05 0.01 -0.01 0.01 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 0.00 -0.00 0.00 0.00 0.00 0.00 0.02 -0.01 0.01 0.02 -0.02 0.03 0.02 -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 -0.01 0.01 0.01 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.04 0.03 -0.06 -0.09 0.07 -0.12 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 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.03 0.01 0.02 -0.00 -0.00 0.01 0.03 0.01 -0.04 -0.03 0.01 0.02 0.00 0.00 -0.00 0.25 -0.17 0.32 0.51 -0.30 0.64 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -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 0.01 -0.01 0.01 0.00 -0.00 -0.01 0.01 0.00 0.01 -0.01 -0.00 -0.00 0.01 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 0.01 0.00 0.02 0.02 -0.00 -0.00 -0.00 0.02 -0.01 0.02 -0.02 -0.01 -0.03 0.00 -0.00 -0.00 -0.08 0.07 -0.12 0.04 -0.04 0.06 0.02 -0.01 -0.01 -0.00 0.00 0.01 -0.01 -0.00 0.00 0.01 0.01 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.01 -0.05 0.06 0.06 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 0.00 0.07 -0.07 -0.10 -0.07 0.10 -0.00 -0.04 -0.05 0.06 0.04 -0.08 -0.09 0.00 0.00 0.00 0.47 -0.35 0.62 -0.24 0.14 -0.30 -0.05 0.01 0.02 0.02 0.01 -0.03 -0.01 0.01 0.06 -0.00 0.02 -0.04 0.03 -0.02 0.00 0.01 -0.02 -0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.06 0.09 0.24 -0.10 -0.03 -0.22 0.12 0.06 0.05 -0.14 -0.02 0.13 0.16 -0.08 -0.10 0.13 -0.10 -0.05 0.01 -0.05 -0.02 -0.01 -0.01 -0.13 0.04 0.03 0.00 0.05 0.06 0.03 -0.02 -0.01 0.00 -0.01 -0.01 -0.01 -0.05 0.06 0.07 -0.01 0.01 -0.02 0.01 -0.00 0.01 -0.33 0.19 0.29 0.11 -0.04 -0.26 0.17 0.02 -0.06 -0.15 -0.17 0.12 -0.08 -0.08 -0.17 0.01 -0.03 0.03 -0.10 -0.09 -0.22 0.04 0.03 -0.01 -0.08 -0.11 -0.05 -0.03 0.14 -0.06 0.03 0.26 -0.01 -0.04 -0.02 0.01 -0.05 -0.02 0.00 -0.04 -0.05 -0.02 -0.02 -0.01 -0.01 -0.09 -0.04 -0.07 0.09 -0.05 0.11 -0.03 0.03 -0.05 -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 0.01 -0.00 0.00 0.00 0.00 0.01 0.01 -0.04 -0.01 0.01 0.03 -0.01 -0.01 -0.00 0.01 -0.00 -0.01 0.00 0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 -0.01 -0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.19 0.17 0.10 -0.00 -0.00 -0.00 -0.06 -0.05 0.09 -0.06 -0.11 -0.14 0.01 -0.01 -0.01 0.05 -0.02 0.01 -0.02 0.02 -0.01 0.02 -0.00 -0.01 -0.01 0.00 0.01 -0.00 0.00 0.01 0.00 0.01 -0.00 0.01 0.01 0.02 -0.01 -0.00 -0.03 0.01 0.01 0.01 0.06 0.27 0.16 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.09 -0.15 -0.20 -0.56 0.07 0.03 -0.21 -0.31 -0.09 -0.10 -0.28 -0.23 0.01 0.00 0.00 -0.08 0.14 -0.18 0.11 0.01 0.08 -0.01 -0.00 0.00 -0.04 0.04 -0.02 -0.03 -0.03 -0.08 0.05 -0.05 0.07 -0.07 0.03 -0.06 0.10 0.01 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.08 -0.07 -0.04 0.03 -0.14 -0.04 -0.06 -0.01 0.10 0.09 0.07 0.07 0.11 0.15 0.04 0.06 0.11 -0.01 -0.04 -0.05 0.08 -0.08 -0.06 -0.06 0.01 -0.00 -0.01 -0.00 0.07 0.09 -0.01 0.00 -0.00 0.00 -0.00 0.01 -0.04 -0.10 -0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.24 0.01 -0.01 -0.02 -0.14 -0.03 0.08 0.08 0.19 0.02 -0.02 -0.03 0.06 0.11 -0.01 -0.12 -0.03 -0.47 0.11 0.08 0.06 0.02 -0.02 -0.02 0.09 0.08 -0.14 -0.08 -0.30 -0.13 0.22 0.43 -0.05 -0.03 0.01 0.02 0.01 -0.02 0.00 0.01 0.01 -0.00 -0.01 0.01 0.02 0.03 0.03 0.02 0.01 -0.01 0.02 -0.02 0.01 -0.03 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.02 0.03 -0.01 0.02 -0.03 0.02 0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -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 -0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.17 -0.00 0.04 0.00 0.01 0.01 0.17 -0.04 0.03 -0.04 0.04 -0.08 -0.01 0.00 0.00 0.02 -0.01 0.02 -0.02 -0.01 -0.03 -0.02 0.01 0.01 0.01 -0.01 -0.02 0.00 -0.00 -0.01 -0.01 -0.01 0.01 -0.00 -0.01 -0.01 0.00 -0.00 0.01 -0.01 -0.01 -0.01 -0.35 0.15 0.24 0.00 -0.00 -0.01 -0.01 -0.01 -0.01 0.02 0.05 -0.00 0.44 -0.08 -0.27 0.04 0.28 -0.03 0.06 0.08 0.33 0.15 -0.28 -0.30 -0.00 0.00 -0.00 -0.10 0.04 -0.13 0.07 -0.08 0.10 0.01 -0.00 -0.01 -0.01 0.01 -0.01 -0.02 -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 0.01 -0.02 -0.02 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.17 -0.05 0.03 0.01 0.07 -0.13 -0.02 -0.04 -0.03 0.02 0.01 0.01 -0.07 -0.00 0.02 -0.06 0.02 0.03 -0.06 -0.03 0.04 -0.03 0.05 0.05 0.00 -0.00 -0.00 0.02 0.04 0.08 -0.00 0.00 0.00 0.00 -0.00 0.00 0.02 -0.00 -0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.26 0.01 0.07 0.15 0.22 -0.19 0.02 -0.14 -0.25 -0.25 -0.21 0.13 0.17 0.01 0.36 0.09 -0.10 -0.01 0.03 -0.09 -0.20 0.01 -0.01 -0.01 -0.05 -0.13 -0.12 -0.11 -0.08 -0.13 0.11 0.45 -0.03 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.01 0.01 0.01 0.00 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 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 -0.13 -0.02 0.08 -0.00 -0.13 -0.08 0.21 0.24 -0.01 0.02 -0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.00 0.00 -0.02 -0.00 -0.01 0.03 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.06 0.04 0.01 0.01 -0.00 -0.01 -0.02 0.05 0.04 0.04 -0.01 -0.04 0.00 -0.00 -0.00 -0.18 0.04 0.15 0.05 -0.17 -0.15 0.02 -0.01 -0.01 -0.03 0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.01 0.01 0.03 0.02 0.05 -0.01 -0.02 -0.07 0.03 0.01 -0.00 0.10 0.03 0.04 -0.01 -0.01 0.02 0.01 0.05 0.02 -0.03 -0.04 0.01 -0.00 0.04 0.01 -0.01 0.11 0.04 0.08 0.03 -0.07 0.02 0.00 -0.03 0.00 0.00 0.01 -0.41 -0.39 0.11 -0.26 -0.51 0.02 -0.03 0.00 0.01 0.01 0.02 0.00 0.01 0.01 0.03 0.00 -0.01 0.01 -0.01 0.00 -0.01 0.00 -0.04 0.05 0.01 0.00 -0.00 0.00 0.01 0.01 -0.01 -0.02 0.00 0.12 -0.02 -0.03 -0.07 0.04 0.02 -0.04 -0.02 0.02 -0.11 -0.03 -0.04 0.18 0.06 -0.02 0.03 0.02 -0.01 -0.00 0.01 -0.03 -0.10 -0.03 0.03 -0.01 -0.01 -0.00 0.04 -0.01 -0.07 0.01 -0.00 -0.01 -0.01 0.01 0.01 0.00 -0.02 -0.01 0.01 -0.00 -0.01 -0.00 0.01 0.01 0.17 -0.09 -0.06 -0.19 0.02 0.04 -0.03 -0.01 0.03 -0.09 -0.07 0.04 0.22 0.16 0.33 -0.05 -0.11 -0.50 0.20 0.05 -0.01 -0.03 -0.00 -0.00 -0.09 -0.06 0.13 0.08 0.38 0.10 -0.19 -0.26 0.05 0.01 0.00 0.00 0.03 -0.01 -0.00 0.00 0.01 0.04 0.01 -0.01 -0.01 0.02 0.01 0.04 0.03 0.03 -0.01 0.02 0.03 -0.00 0.01 -0.00 -0.01 0.01 0.00 -0.00 0.01 0.02 0.06 0.03 -0.03 0.02 -0.04 -0.00 -0.05 0.08 0.21 -0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.06 -0.15 0.00 -0.08 -0.09 -0.02 -0.02 -0.09 -0.04 0.03 0.01 0.05 -0.10 0.01 0.02 0.11 0.07 0.02 -0.05 -0.05 -0.05 0.03 0.06 0.04 0.00 0.00 -0.01 0.07 0.05 -0.08 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.05 -0.02 0.04 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.03 0.06 -0.19 -0.06 -0.01 0.15 -0.19 -0.35 -0.18 -0.17 0.02 0.02 -0.10 0.15 0.10 -0.03 0.28 -0.07 -0.09 -0.14 0.02 -0.01 -0.01 -0.09 -0.03 0.13 0.11 0.49 0.10 -0.18 -0.19 0.05 0.01 -0.01 -0.02 -0.03 0.02 0.00 0.00 0.00 -0.01 -0.00 0.01 0.01 0.07 0.05 0.15 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.03 -0.01 0.01 -0.01 -0.01 -0.08 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.11 -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 -0.01 0.04 0.02 0.03 -0.05 0.02 -0.07 -0.04 -0.03 0.04 -0.01 -0.03 0.04 -0.01 0.01 0.11 0.08 0.08 -0.04 0.04 -0.00 0.00 -0.00 -0.00 -0.07 -0.07 0.03 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.02 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.19 0.01 0.06 -0.36 0.27 0.05 0.14 -0.15 -0.25 0.29 0.27 -0.00 0.12 -0.04 0.27 0.08 -0.10 -0.00 -0.01 -0.10 -0.26 0.01 -0.01 0.01 0.07 0.04 -0.06 -0.04 -0.38 -0.03 0.10 -0.04 -0.02 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 0.03 0.01 -0.01 -0.02 -0.10 -0.07 -0.22 0.00 0.00 -0.00 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 0.00 -0.00 0.00 0.03 -0.01 0.02 -0.02 -0.00 0.01 0.00 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.01 0.01 0.01 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 -0.00 -0.06 0.06 0.17 0.00 0.00 -0.00 0.04 0.03 -0.16 0.02 -0.09 -0.06 0.00 -0.00 0.00 -0.02 -0.01 0.01 0.01 0.01 0.00 0.00 0.02 0.01 -0.02 -0.02 0.00 -0.05 -0.04 -0.02 0.00 -0.00 0.00 -0.00 -0.02 0.01 0.02 -0.01 0.04 -0.02 -0.02 -0.04 -0.14 0.20 0.48 0.00 0.01 0.01 0.01 0.01 0.01 -0.01 -0.01 0.00 -0.12 0.25 0.31 0.43 -0.35 -0.07 -0.10 -0.20 -0.22 -0.15 0.00 0.03 0.00 0.00 0.00 -0.03 -0.06 0.02 0.04 0.05 -0.03 -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 -0.01 0.01 0.00 0.02 -0.03 -0.00 0.01 -0.01 0.04 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 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.07 -0.07 0.03 0.00 0.00 0.00 -0.04 0.02 -0.06 -0.09 0.12 -0.03 0.00 -0.00 0.00 -0.01 0.01 0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.05 0.01 -0.01 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 0.01 0.01 0.42 -0.20 0.23 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.02 -0.00 -0.14 0.10 0.15 0.00 -0.27 -0.01 -0.11 0.01 0.51 0.31 -0.27 -0.34 0.01 0.00 0.01 0.01 0.04 0.01 0.01 -0.03 0.00 -0.01 0.00 0.00 0.04 -0.01 0.02 0.02 0.00 0.06 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.11 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.09 -0.07 -0.02 0.15 0.05 0.08 -0.02 -0.00 -0.06 -0.14 -0.07 -0.10 0.09 -0.00 -0.02 0.03 -0.02 0.00 -0.08 -0.06 -0.08 0.01 -0.02 0.05 -0.01 0.01 0.00 0.00 0.03 0.06 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.26 -0.23 -0.11 0.62 0.37 -0.08 -0.00 0.02 -0.02 -0.08 -0.11 -0.13 0.00 0.05 -0.02 -0.03 0.02 -0.05 0.06 0.06 0.13 -0.06 0.03 0.00 0.03 0.00 -0.09 -0.06 -0.10 -0.08 0.10 0.28 -0.02 0.01 0.01 0.00 0.03 0.01 -0.00 0.01 -0.01 -0.05 -0.03 0.02 0.03 0.04 0.04 0.11 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.01 0.00 0.00 -0.00 0.01 -0.00 -0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.06 -0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.08 0.06 -0.04 0.01 -0.05 -0.02 0.12 -0.10 -0.00 -0.00 0.03 -0.08 -0.07 0.07 0.07 -0.02 -0.02 0.03 0.08 0.00 -0.00 -0.10 0.05 -0.00 0.00 0.01 0.00 -0.05 0.02 0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.02 0.01 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 0.24 -0.22 -0.00 -0.08 -0.03 -0.03 0.37 0.34 0.07 -0.03 0.05 0.08 0.03 0.18 -0.12 -0.16 0.09 -0.31 0.20 0.21 0.43 -0.01 0.01 0.04 -0.06 -0.16 -0.05 -0.05 -0.05 -0.05 -0.00 0.06 -0.00 -0.00 0.02 0.02 0.02 -0.02 -0.00 -0.00 -0.01 -0.02 -0.02 0.00 0.00 -0.10 -0.07 -0.18 -0.00 -0.01 0.00 0.00 0.01 -0.00 0.01 0.00 -0.01 -0.01 -0.01 0.01 -0.01 0.01 0.01 -0.01 0.02 -0.02 0.02 -0.00 0.02 -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 -0.04 0.02 -0.03 0.04 0.13 0.10 0.08 0.06 0.01 -0.03 -0.09 -0.09 0.03 -0.05 -0.07 -0.00 -0.02 -0.12 0.00 -0.11 -0.00 -0.04 -0.00 0.00 0.01 -0.01 0.07 -0.04 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.02 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.19 0.05 -0.02 -0.12 0.29 0.01 0.45 0.20 0.06 0.06 -0.07 -0.09 0.17 0.10 0.25 -0.02 -0.12 -0.36 0.11 -0.02 -0.21 0.01 -0.00 0.01 0.11 0.26 0.07 0.08 0.06 0.09 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.02 -0.01 -0.00 0.00 0.13 0.09 0.23 -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 -0.03 -0.02 -0.01 0.01 -0.01 0.02 0.00 0.02 -0.01 0.04 -0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.09 0.05 -0.05 0.08 -0.03 0.01 0.09 -0.03 -0.05 0.04 0.01 0.07 0.03 -0.02 -0.01 -0.08 -0.04 0.02 -0.05 0.16 0.04 -0.06 0.01 0.04 -0.00 0.00 -0.00 0.07 -0.08 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 -0.24 0.12 -0.02 0.24 -0.50 0.07 0.14 -0.05 -0.12 -0.13 0.06 0.01 0.13 0.07 0.25 0.03 -0.10 -0.18 0.11 -0.01 -0.11 -0.01 0.01 -0.00 -0.22 -0.41 -0.01 -0.05 0.19 -0.07 -0.14 0.06 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 0.08 0.04 0.12 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.01 0.04 -0.00 -0.02 -0.02 -0.04 0.01 -0.01 0.00 -0.01 -0.00 -0.01 0.02 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.10 -0.09 -0.05 0.11 -0.01 -0.01 -0.03 0.08 0.22 -0.12 -0.03 -0.02 -0.10 -0.02 0.00 0.08 0.01 -0.02 -0.06 0.13 0.07 0.01 0.02 -0.13 -0.00 0.00 0.00 0.06 -0.07 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.00 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.13 -0.30 -0.16 0.00 0.18 -0.02 -0.09 0.13 0.34 -0.12 0.06 0.04 -0.12 -0.12 -0.20 0.01 0.03 0.17 -0.20 -0.09 -0.20 0.03 -0.01 0.00 -0.20 -0.35 0.03 -0.02 0.22 -0.03 -0.15 -0.00 0.03 0.00 0.01 0.00 -0.01 -0.02 -0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.01 0.14 0.09 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 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.04 -0.17 -0.11 0.16 -0.00 -0.14 -0.05 0.04 0.06 -0.00 0.01 -0.00 -0.01 0.00 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.07 0.06 0.08 -0.00 -0.00 0.01 0.09 0.08 0.02 -0.09 -0.08 0.00 -0.00 -0.00 -0.00 -0.19 -0.11 0.08 0.08 0.21 0.06 0.01 0.01 -0.00 0.01 -0.02 0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.32 -0.30 -0.42 -0.00 -0.01 -0.01 -0.01 -0.01 -0.01 0.01 0.02 -0.00 0.18 0.13 0.00 -0.28 -0.15 0.02 0.19 0.23 0.06 -0.15 -0.16 -0.03 -0.02 -0.01 -0.03 -0.17 -0.06 0.11 0.00 0.18 0.09 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.08 -0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.03 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.07 0.12 0.06 -0.10 -0.05 -0.00 -0.09 -0.06 -0.02 0.02 0.02 0.01 0.01 -0.01 0.01 0.01 0.03 -0.06 0.22 0.04 -0.03 0.04 -0.00 0.00 0.00 -0.03 0.04 -0.10 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 -0.24 -0.05 0.04 0.15 -0.06 -0.08 0.01 0.00 -0.13 0.03 -0.00 0.33 -0.03 0.03 -0.09 -0.04 0.06 0.03 0.04 0.07 0.20 -0.00 -0.00 -0.01 0.06 0.27 0.21 0.17 0.11 0.20 -0.07 -0.37 0.01 0.01 0.01 0.01 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.25 0.15 0.40 -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 -0.00 -0.00 0.01 -0.02 0.00 -0.03 -0.05 -0.02 -0.05 -0.03 0.01 -0.04 -0.04 0.01 0.00 0.02 -0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.02 0.00 0.01 0.02 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 0.03 0.03 0.04 0.00 -0.01 0.00 0.00 0.00 -0.06 0.08 0.10 0.09 -0.06 -0.09 -0.04 -0.01 -0.01 0.03 -0.04 0.01 0.04 -0.00 -0.02 0.00 -0.00 0.00 0.01 0.00 0.02 0.00 -0.01 -0.01 0.01 -0.00 -0.01 0.06 -0.02 0.05 0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.03 -0.03 -0.02 0.01 0.07 0.02 0.05 0.02 -0.04 -0.04 -0.01 -0.00 -0.01 -0.00 -0.01 0.20 0.59 0.19 0.55 0.32 -0.29 -0.02 -0.00 0.01 -0.01 -0.02 0.00 -0.01 -0.01 -0.01 -0.02 0.04 -0.03 0.05 0.00 0.04 -0.06 0.15 -0.01 -0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.14 0.02 0.02 -0.08 -0.05 -0.04 0.06 0.03 0.13 0.03 0.02 0.17 -0.02 -0.09 -0.16 -0.11 0.04 -0.02 0.02 0.03 0.03 -0.02 -0.02 0.00 -0.00 0.00 0.02 -0.01 -0.01 0.00 0.01 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.02 -0.02 0.01 0.02 0.02 -0.01 -0.02 0.40 0.09 0.15 -0.26 0.45 -0.09 -0.41 0.02 0.19 -0.02 0.01 0.01 -0.08 -0.01 -0.18 -0.05 0.07 0.04 -0.05 0.02 0.10 -0.06 0.01 -0.06 -0.05 -0.07 0.03 0.01 0.10 0.01 -0.05 -0.02 0.01 -0.01 0.00 0.00 0.01 0.01 0.00 0.02 0.03 0.01 0.00 -0.02 -0.01 0.07 0.05 0.12 0.04 0.12 0.04 0.11 0.06 -0.05 0.00 -0.00 -0.00 -0.01 0.02 0.00 -0.01 -0.02 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.03 -0.07 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.08 0.06 0.03 -0.10 0.00 -0.03 -0.01 -0.08 -0.01 0.00 -0.03 -0.01 0.02 0.03 -0.01 0.02 -0.00 -0.03 0.05 -0.03 0.02 -0.02 0.03 -0.00 0.00 -0.00 0.04 -0.03 0.02 -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 -0.25 0.20 0.11 -0.39 0.56 -0.04 0.09 -0.02 -0.17 0.15 0.11 -0.33 0.01 0.02 -0.02 -0.02 0.04 0.02 0.03 0.04 0.13 0.02 -0.00 0.02 -0.08 -0.18 -0.04 -0.03 0.08 -0.05 -0.04 0.09 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 0.16 0.10 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 -0.05 -0.04 -0.05 0.06 0.02 -0.01 0.02 -0.01 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -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 0.01 -0.00 0.04 -0.03 -0.02 0.01 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.03 0.01 0.01 -0.00 -0.00 0.01 0.01 -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 0.21 -0.02 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.39 -0.33 -0.08 0.44 0.41 0.01 -0.16 -0.16 -0.03 0.05 0.07 0.04 -0.00 -0.00 -0.00 0.13 0.26 0.03 -0.23 -0.16 0.12 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 0.01 -0.00 0.00 0.00 0.01 0.04 0.00 -0.06 -0.01 -0.02 -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 0.01 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.03 0.02 -0.02 0.00 -0.00 -0.00 -0.00 -0.04 0.01 0.03 -0.03 0.02 -0.01 -0.00 -0.00 0.03 -0.00 -0.03 -0.01 0.00 0.01 0.02 0.01 0.00 0.02 0.02 -0.01 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 0.47 -0.11 0.39 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.10 -0.15 -0.05 0.03 0.08 -0.00 0.33 0.33 -0.03 -0.38 -0.30 -0.04 -0.01 -0.00 -0.01 -0.08 -0.22 -0.06 0.13 0.13 -0.05 0.00 -0.00 -0.00 -0.01 0.02 0.00 0.02 0.02 -0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.03 0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.04 0.04 -0.02 -0.01 -0.12 0.04 0.02 -0.01 -0.01 0.01 0.00 -0.04 -0.02 0.01 0.01 0.01 0.01 -0.00 -0.01 0.02 0.06 -0.01 0.01 0.01 -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 -0.00 -0.00 -0.00 0.07 0.12 0.03 0.35 0.48 -0.15 0.02 0.00 0.01 -0.17 0.03 0.48 0.01 0.01 0.03 0.01 -0.01 -0.01 0.02 -0.01 -0.03 -0.01 0.00 -0.01 -0.04 -0.02 0.08 0.04 0.11 0.04 -0.08 -0.09 0.01 0.01 0.01 0.00 -0.02 -0.01 0.00 -0.02 -0.02 -0.00 0.02 0.02 0.01 -0.25 -0.14 -0.44 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 -0.02 -0.05 0.02 -0.04 0.06 0.03 0.08 -0.04 -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 -0.01 -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 0.02 0.03 -0.01 0.04 -0.01 0.01 -0.00 -0.00 -0.00 -0.02 0.00 0.01 -0.02 0.01 0.02 0.00 0.01 0.00 -0.01 -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 0.00 -0.00 -0.00 -0.00 0.09 -0.00 0.16 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.23 0.17 0.02 -0.29 -0.23 0.00 0.14 0.11 -0.07 -0.25 -0.16 -0.01 -0.00 -0.00 -0.00 0.24 0.48 0.10 -0.42 -0.30 0.16 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.02 0.01 0.01 -0.01 0.02 -0.01 0.02 0.00 0.02 0.10 0.01 -0.03 -0.04 0.07 0.08 0.08 -0.01 -0.10 -0.04 -0.06 -0.00 0.05 -0.00 0.02 0.01 -0.01 0.01 -0.01 0.02 -0.01 -0.03 0.00 0.00 -0.02 0.00 0.00 -0.08 -0.01 0.03 -0.01 -0.01 -0.02 0.01 -0.01 -0.00 0.11 -0.02 0.04 -0.00 0.01 0.00 -0.08 -0.03 -0.03 -0.07 -0.03 0.02 -0.01 -0.02 -0.01 -0.00 0.02 0.01 0.04 0.02 -0.02 -0.36 -0.12 -0.05 -0.17 -0.08 0.06 -0.05 0.00 -0.01 -0.12 -0.08 0.11 0.00 0.00 -0.02 -0.01 0.02 0.02 -0.00 0.01 0.04 -0.31 0.16 -0.07 0.01 0.03 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 0.00 0.06 0.10 0.04 0.33 0.10 -0.02 0.26 0.35 0.11 -0.13 -0.28 -0.11 -0.12 -0.07 -0.21 0.08 0.18 0.04 -0.08 -0.08 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 -0.01 -0.00 -0.01 -0.10 -0.03 0.05 -0.03 0.04 0.05 0.04 -0.01 -0.05 -0.02 -0.04 -0.01 -0.06 0.01 -0.05 -0.00 0.02 -0.01 -0.04 -0.03 0.02 0.02 -0.01 -0.01 0.01 0.00 0.00 0.10 0.01 -0.04 0.02 0.01 0.02 0.00 0.02 -0.01 0.06 -0.01 0.03 0.01 -0.01 0.00 -0.04 -0.02 -0.02 -0.04 -0.02 0.00 -0.01 0.00 0.01 0.00 0.02 0.01 0.02 0.01 -0.01 0.52 0.32 0.12 0.25 0.07 -0.08 0.37 0.07 -0.03 0.16 0.10 -0.13 -0.02 -0.04 0.01 0.02 -0.00 0.04 -0.04 -0.03 -0.06 -0.17 0.07 -0.11 -0.01 -0.03 0.00 0.00 0.02 0.01 -0.00 0.01 -0.00 0.02 0.05 0.03 0.17 0.04 -0.01 0.15 0.19 0.06 -0.07 -0.14 -0.06 0.14 0.08 0.25 0.05 0.11 0.03 -0.06 -0.06 0.02 0.00 0.00 -0.00 0.01 0.01 -0.00 0.01 0.00 0.01 -0.02 0.03 -0.02 0.04 0.01 0.03 0.15 -0.01 0.01 0.01 -0.01 -0.02 -0.01 -0.00 0.02 0.00 0.01 0.00 -0.01 -0.05 -0.07 0.02 0.03 0.00 -0.12 0.00 0.04 -0.10 -0.01 -0.01 0.03 0.01 0.01 -0.11 -0.06 0.03 -0.01 -0.01 -0.01 0.04 0.02 -0.02 -0.03 0.01 -0.01 -0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.00 -0.01 -0.01 -0.03 -0.01 0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.13 0.51 0.20 -0.05 -0.16 0.05 0.64 0.20 -0.07 -0.05 -0.03 0.03 -0.06 -0.07 -0.07 -0.01 0.06 0.11 -0.11 -0.03 -0.00 0.08 -0.04 0.03 0.02 0.02 -0.01 -0.01 -0.01 -0.01 0.00 0.02 -0.00 -0.01 -0.02 -0.01 -0.05 -0.01 0.00 -0.07 -0.09 -0.03 0.09 0.10 0.03 -0.06 -0.04 -0.10 -0.03 -0.06 -0.01 0.05 0.04 -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 0.01 0.05 -0.08 -0.06 0.00 -0.00 -0.03 -0.03 0.06 0.06 -0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.07 -0.09 -0.13 0.00 -0.00 0.00 -0.05 0.07 0.04 -0.00 0.04 0.09 0.01 0.01 0.00 -0.03 -0.06 -0.02 0.04 0.03 -0.01 0.08 0.06 0.03 0.03 0.00 -0.01 -0.00 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 -0.01 -0.39 0.38 0.60 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.21 0.18 -0.03 0.02 0.08 0.05 -0.18 -0.15 -0.03 -0.22 -0.21 -0.00 0.02 0.01 0.03 -0.03 -0.08 -0.02 0.04 0.04 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.00 -0.01 0.02 -0.00 0.00 -0.00 0.08 0.07 0.10 -0.01 -0.05 -0.06 -0.06 0.01 -0.02 -0.02 0.00 -0.01 0.01 -0.01 0.03 0.01 -0.00 -0.02 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.01 0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.05 0.06 -0.08 -0.00 -0.00 0.00 -0.04 -0.07 -0.01 -0.06 -0.04 0.02 0.01 0.01 0.00 -0.02 0.02 0.02 0.04 -0.01 -0.04 0.11 0.04 0.04 0.02 0.01 -0.01 -0.14 -0.02 0.05 0.04 0.02 -0.04 0.01 0.02 0.00 0.00 -0.02 -0.03 0.03 0.00 -0.01 0.44 -0.04 0.41 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.45 0.22 -0.03 -0.08 -0.07 -0.01 -0.15 -0.15 -0.03 0.26 0.34 0.17 0.02 0.01 0.04 -0.03 0.01 0.03 -0.02 -0.07 -0.02 -0.01 0.00 0.00 -0.01 -0.02 0.00 0.01 0.01 0.00 -0.00 0.01 -0.01 0.01 0.00 0.01 -0.16 0.03 -0.00 0.01 0.01 0.01 0.02 -0.00 -0.01 -0.02 -0.01 0.01 0.10 0.07 0.00 0.03 -0.03 0.02 -0.14 -0.06 0.02 0.10 0.02 0.02 0.08 0.00 -0.01 0.03 -0.03 -0.02 -0.02 0.00 -0.01 0.04 0.02 -0.02 -0.01 0.01 -0.04 0.00 0.01 -0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.00 -0.01 0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.01 -0.39 -0.31 -0.20 -0.12 -0.01 0.05 0.60 0.12 -0.11 -0.16 -0.10 0.13 -0.04 -0.10 -0.02 0.01 0.05 0.12 -0.13 -0.02 0.03 0.07 0.02 0.15 -0.01 0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.03 0.01 0.13 0.06 -0.01 -0.04 -0.02 0.00 -0.08 -0.08 -0.02 0.06 0.09 0.05 -0.08 -0.04 -0.15 -0.01 -0.01 0.00 -0.00 -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.02 0.00 0.00 0.01 -0.03 0.02 -0.03 -0.01 -0.03 -0.08 -0.02 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.01 0.01 0.01 -0.05 -0.04 0.12 0.02 0.02 0.02 0.05 -0.01 -0.00 -0.01 0.01 -0.01 -0.02 -0.01 0.06 0.02 -0.02 -0.02 0.01 -0.02 0.00 -0.03 -0.01 -0.01 0.01 0.02 -0.02 0.02 -0.00 -0.02 -0.02 0.00 0.02 0.02 0.00 0.02 0.04 0.01 0.01 -0.01 -0.01 0.01 -0.00 -0.01 -0.14 0.56 0.25 -0.34 -0.09 0.13 -0.18 -0.06 -0.08 -0.33 -0.28 0.13 0.04 0.04 0.00 -0.04 0.03 0.01 0.03 0.05 0.10 0.08 -0.08 -0.12 0.02 0.06 -0.01 -0.01 -0.05 -0.01 0.00 -0.03 0.00 0.13 0.06 -0.02 0.11 0.05 0.00 -0.08 -0.09 -0.03 -0.12 -0.11 -0.04 -0.08 -0.04 -0.14 0.03 0.03 -0.01 -0.03 -0.04 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 -0.01 0.00 -0.03 0.00 0.01 -0.02 0.04 0.04 -0.00 0.02 0.01 -0.04 -0.01 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.03 -0.01 0.01 0.00 -0.01 0.01 0.00 0.01 0.00 -0.03 0.03 0.05 0.01 -0.00 0.00 -0.08 -0.04 0.01 0.06 0.07 0.01 0.01 0.00 0.00 0.02 -0.05 -0.04 0.04 -0.01 -0.03 0.04 -0.18 -0.08 0.11 0.03 -0.04 0.07 0.03 0.03 0.11 0.10 -0.04 -0.02 -0.02 -0.01 0.01 -0.01 -0.00 -0.02 -0.02 -0.03 0.21 -0.21 -0.33 -0.01 -0.02 0.00 0.00 0.02 0.00 -0.00 0.01 -0.00 0.40 0.19 -0.05 0.36 0.16 0.01 -0.23 -0.27 -0.09 -0.26 -0.27 -0.12 0.02 0.01 0.04 0.10 0.08 -0.02 -0.06 -0.09 -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 0.02 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.07 0.03 0.05 0.07 -0.01 -0.02 0.02 -0.08 -0.08 -0.02 -0.00 0.00 0.00 0.01 0.01 -0.00 0.01 0.00 0.02 0.04 0.00 -0.02 0.07 -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 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.25 -0.18 -0.04 -0.27 0.07 0.03 0.09 0.30 0.62 -0.27 -0.35 -0.07 -0.00 -0.08 0.13 0.11 -0.09 0.05 -0.03 -0.04 -0.17 -0.01 -0.00 -0.01 0.01 0.05 -0.02 0.01 -0.10 0.01 0.03 -0.07 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.01 0.00 -0.01 0.01 -0.02 -0.00 -0.01 -0.01 0.01 0.01 0.02 0.05 0.01 0.03 0.03 -0.01 -0.04 -0.03 0.01 0.05 -0.05 0.00 -0.03 0.02 0.01 -0.01 -0.03 -0.07 0.01 -0.00 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.03 -0.05 -0.02 -0.01 0.03 -0.01 -0.02 -0.02 0.00 0.03 -0.02 0.01 0.04 -0.00 -0.01 0.02 0.02 0.02 0.02 0.02 0.01 -0.02 0.02 0.02 0.04 -0.02 -0.04 -0.26 0.21 0.12 0.05 -0.06 0.01 -0.03 0.25 0.48 0.25 0.40 0.23 0.03 -0.03 0.10 0.05 -0.03 0.11 -0.01 0.02 -0.03 -0.03 -0.02 -0.02 0.01 -0.04 -0.00 -0.02 0.11 -0.03 -0.02 0.10 0.00 -0.21 -0.12 0.03 -0.18 -0.06 -0.02 -0.11 -0.12 -0.05 -0.16 -0.15 -0.04 0.00 0.00 0.01 -0.07 -0.07 0.01 -0.10 -0.13 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 0.00 0.00 -0.02 0.00 0.01 -0.03 -0.07 -0.01 -0.05 -0.05 0.02 0.07 0.05 -0.03 0.04 -0.04 -0.00 -0.02 0.01 0.01 -0.00 -0.02 -0.05 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.02 0.01 -0.00 -0.02 -0.04 -0.02 -0.01 0.02 -0.01 0.03 0.03 -0.00 0.02 -0.01 0.01 -0.06 0.00 0.01 -0.03 -0.04 -0.03 -0.01 -0.01 -0.00 0.03 -0.03 -0.03 -0.08 0.03 0.07 -0.20 0.18 0.09 0.03 -0.05 0.01 -0.06 0.15 0.31 0.16 0.27 0.16 0.03 -0.01 0.08 0.03 -0.02 0.08 0.01 0.02 -0.00 0.05 0.04 0.04 0.00 -0.03 -0.00 -0.02 0.07 -0.02 -0.02 0.06 0.00 0.34 0.19 -0.05 0.29 0.10 0.02 0.20 0.21 0.08 0.26 0.25 0.07 0.00 0.00 0.00 0.11 0.11 -0.02 0.16 0.23 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.02 0.00 -0.02 0.05 -0.04 0.06 0.01 0.04 -0.02 0.01 0.01 -0.00 0.01 0.01 -0.01 0.01 0.02 -0.04 0.04 0.05 0.07 -0.05 -0.02 -0.11 -0.03 0.02 -0.00 -0.00 -0.04 0.02 -0.00 -0.00 -0.02 0.01 0.01 0.04 0.01 -0.01 0.08 0.08 0.04 -0.01 -0.00 -0.02 -0.00 0.00 -0.00 -0.03 0.02 -0.02 0.01 -0.00 -0.00 -0.00 -0.01 -0.01 -0.07 -0.10 -0.01 0.01 -0.06 -0.04 0.05 -0.00 -0.04 -0.35 0.26 0.11 0.40 0.04 -0.09 -0.12 0.07 0.18 -0.14 -0.39 -0.39 0.08 0.04 0.08 0.00 -0.00 0.15 0.05 0.07 0.07 0.01 0.00 0.01 -0.05 -0.01 -0.00 0.05 -0.15 0.06 0.06 -0.15 -0.00 -0.04 -0.02 0.01 -0.06 -0.02 -0.01 0.03 0.03 0.01 0.06 0.07 0.02 0.04 0.03 0.08 0.08 0.08 -0.02 -0.07 -0.11 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.00 0.02 -0.07 0.05 -0.08 -0.01 -0.06 0.02 0.02 0.00 0.02 -0.02 -0.03 0.04 -0.02 -0.04 0.08 -0.08 -0.10 0.06 -0.03 -0.02 -0.11 -0.02 0.02 -0.03 0.01 -0.01 0.01 0.00 -0.01 0.03 -0.03 -0.02 -0.06 -0.01 0.02 0.06 0.06 0.04 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.03 0.02 -0.02 -0.03 0.00 0.01 0.01 0.03 0.03 0.10 0.14 0.02 -0.02 0.13 0.09 -0.11 0.00 0.08 -0.27 0.13 0.04 0.37 0.04 -0.09 0.08 0.10 0.10 -0.09 -0.33 -0.38 -0.03 -0.00 -0.04 -0.00 0.02 0.01 -0.03 -0.03 -0.03 0.00 -0.01 -0.02 -0.04 -0.01 0.00 0.05 -0.13 0.06 0.04 -0.13 -0.00 0.10 0.05 -0.04 0.13 0.04 0.02 -0.11 -0.11 -0.04 -0.15 -0.17 -0.05 0.03 0.02 0.06 -0.20 -0.19 0.04 0.14 0.22 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.03 -0.12 0.08 -0.12 -0.02 -0.09 0.03 0.02 -0.00 -0.06 0.02 0.05 -0.06 -0.02 0.03 -0.06 0.11 0.11 0.02 -0.00 -0.00 -0.04 -0.01 0.00 -0.03 0.01 0.01 0.00 -0.00 -0.00 0.04 -0.04 -0.02 -0.09 -0.02 0.02 0.01 0.01 0.01 0.02 0.02 0.03 0.01 0.01 0.01 -0.00 0.00 -0.01 0.04 0.00 -0.02 -0.02 -0.05 -0.05 0.15 0.22 0.02 0.04 -0.15 -0.12 0.10 0.02 -0.06 -0.07 -0.01 -0.01 0.11 0.01 -0.03 0.16 0.07 0.01 -0.00 -0.07 -0.12 -0.13 -0.05 -0.14 0.01 0.02 -0.16 -0.08 -0.11 -0.13 -0.02 0.03 0.03 -0.01 -0.00 0.01 0.02 -0.03 0.02 0.01 -0.03 -0.00 -0.17 -0.06 0.07 -0.16 -0.06 -0.03 0.31 0.30 0.15 0.19 0.24 0.08 0.00 0.00 0.01 0.30 0.29 -0.06 -0.11 -0.15 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.02 0.01 -0.02 -0.00 -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 -0.02 0.02 0.00 0.01 0.00 -0.01 -0.00 -0.00 0.02 -0.01 0.00 -0.00 0.01 -0.00 -0.01 -0.02 -0.00 0.01 -0.01 -0.00 0.01 -0.04 -0.04 -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 0.03 0.04 0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 0.11 -0.10 -0.05 0.01 0.00 -0.01 0.05 -0.02 -0.04 0.02 0.00 -0.04 0.39 0.08 0.41 -0.05 0.02 0.57 0.09 0.32 0.41 0.00 -0.00 0.00 0.01 0.02 0.03 0.00 0.01 0.01 -0.02 0.03 -0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 0.02 0.02 0.01 0.01 0.01 0.00 -0.01 -0.01 -0.02 0.02 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -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 -0.01 -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 0.04 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.04 -0.13 -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 0.00 0.01 0.01 -0.01 -0.01 -0.01 0.01 0.02 -0.00 -0.08 -0.21 -0.02 -0.00 -0.02 0.00 -0.00 -0.02 -0.00 -0.01 -0.02 0.00 -0.00 -0.00 0.31 0.41 0.26 0.03 0.44 0.21 0.03 0.54 -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 -0.06 -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 -0.06 -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 -0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.04 -0.04 0.03 -0.00 0.00 0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.01 0.00 0.12 0.05 -0.12 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.06 -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 -0.03 -0.01 -0.02 0.03 0.04 0.01 0.02 -0.02 -0.05 -0.26 -0.05 0.61 0.02 0.01 0.01 -0.01 0.01 0.03 0.00 0.01 0.02 -0.00 0.00 0.00 0.18 0.08 -0.27 -0.05 0.17 0.07 0.31 0.08 -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 0.23 0.14 0.42 0.00 0.00 -0.00 0.00 0.00 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 -0.01 0.00 0.00 -0.00 0.20 0.01 -0.15 -0.04 0.19 0.14 -0.04 -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 -0.01 -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 -0.09 -0.02 0.03 -0.04 -0.08 -0.04 0.01 0.03 -0.00 -0.11 0.01 0.09 0.04 -0.11 -0.08 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 0.00 0.01 -0.00 0.00 0.01 -0.03 0.01 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.17 -0.01 -0.18 0.42 0.11 0.05 0.37 0.38 0.09 0.15 0.17 0.06 0.00 0.00 0.00 -0.23 -0.19 0.08 -0.19 -0.31 -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 -0.00 -0.00 0.00 0.00 -0.00 0.04 0.03 -0.01 -0.02 -0.04 -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 -0.00 -0.00 -0.00 -0.00 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 -0.04 -0.01 0.03 0.00 -0.06 0.01 -0.01 0.01 -0.03 -0.01 0.02 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 0.01 -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 -0.00 -0.00 -0.00 0.00 0.00 -0.05 0.17 0.33 -0.12 0.37 -0.08 0.00 -0.15 0.61 -0.41 0.27 0.22 0.00 0.00 0.00 -0.00 0.04 0.03 -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 -0.01 0.00 0.00 -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 0.04 -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 0.01 -0.01 -0.00 0.01 -0.01 -0.00 -0.01 0.01 0.07 -0.00 -0.00 0.01 0.30 0.26 0.17 -0.45 0.54 -0.06 -0.46 -0.27 -0.13 0.00 0.00 0.00 0.01 0.02 0.02 -0.02 -0.01 -0.03 -0.04 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 0.01 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 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 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 -0.04 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -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 0.02 0.00 0.00 -0.04 -0.02 0.01 -0.00 -0.00 0.00 0.05 0.08 -0.05 0.01 -0.03 0.04 -0.02 0.03 -0.04 -0.07 -0.01 0.03 0.00 -0.00 0.00 -0.26 -0.29 -0.08 0.35 0.06 0.53 0.60 0.00 -0.17 -0.00 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 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.04 0.03 -0.01 -0.00 0.00 0.01 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 0.02 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.01 0.02 -0.06 -0.03 -0.02 0.01 0.04 -0.01 0.01 -0.01 -0.04 -0.04 0.00 -0.03 -0.02 0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.05 0.01 0.00 0.01 -0.01 0.01 -0.00 -0.01 -0.01 0.00 0.00 -0.01 0.01 0.08 0.01 -0.16 -0.06 0.12 -0.05 0.05 -0.10 0.01 -0.08 0.24 0.47 -0.21 0.48 -0.12 -0.02 0.10 -0.40 0.30 -0.18 -0.15 -0.02 -0.01 -0.03 0.03 0.09 0.03 0.04 0.04 -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 0.01 0.01 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 -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 -0.06 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.04 0.00 -0.01 -0.01 -0.01 0.00 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 -0.02 -0.00 0.01 0.01 -0.00 -0.01 -0.06 0.01 0.18 -0.00 0.04 -0.03 0.00 -0.00 0.02 0.04 -0.00 -0.03 0.00 -0.00 0.00 -0.27 -0.03 0.60 0.22 -0.45 0.15 -0.20 0.36 -0.05 -0.02 0.06 0.12 -0.05 0.12 -0.03 -0.00 0.03 -0.10 0.08 -0.05 -0.04 0.07 0.04 0.12 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 -0.00 0.00 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 -0.02 0.01 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.03 -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 -0.02 -0.01 -0.04 -0.00 0.01 0.05 0.01 0.03 0.01 0.01 -0.01 0.07 0.58 -0.33 -0.06 0.05 0.36 0.47 -0.09 -0.40 -0.00 0.00 0.00 -0.00 -0.02 -0.05 0.01 0.04 0.03 0.07 -0.02 -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 -0.01 -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 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.19 -0.22 0.02 0.13 0.23 0.02 -0.06 0.03 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 0.04 -0.00 -0.03 -0.01 -0.05 -0.02 0.00 0.00 0.00 0.16 0.13 -0.04 -0.04 -0.14 -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 0.03 -0.02 -0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.09 0.34 0.43 -0.16 0.35 -0.11 0.11 0.04 0.17 -0.25 0.02 0.07 -0.00 -0.00 -0.00 -0.08 -0.35 -0.14 0.15 -0.02 -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 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.04 -0.11 -0.04 -0.17 -0.14 0.05 -0.07 -0.10 -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 0.01 0.01 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.01 0.01 -0.00 -0.00 0.01 -0.01 0.11 0.20 0.03 0.20 0.21 -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 0.03 0.01 0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.07 0.16 0.18 -0.00 0.25 -0.03 0.07 0.13 -0.20 0.30 0.01 -0.06 0.00 0.00 0.00 -0.21 -0.40 -0.07 -0.43 -0.28 0.18 -0.01 0.01 0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.02 0.01 0.03 0.00 -0.06 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 -0.01 0.01 -0.01 0.04 0.03 0.01 0.02 -0.02 0.14 -0.57 -0.23 -0.09 0.64 0.20 0.00 0.00 -0.01 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 -0.05 -0.11 -0.05 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.03 -0.04 -0.02 -0.01 0.03 0.01 0.30 0.11 -0.02 -0.01 -0.01 0.03 -0.03 -0.00 -0.05 0.01 0.01 0.03 -0.01 -0.02 -0.04 0.02 -0.01 0.02 0.00 0.00 0.01 -0.00 -0.02 -0.01 -0.01 0.01 0.00 -0.02 -0.01 0.00 0.01 -0.02 -0.00 0.03 0.03 0.03 -0.02 -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 0.00 0.00 -0.00 -0.00 -0.13 0.28 -0.22 -0.23 -0.00 -0.19 0.00 -0.01 -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 0.01 -0.01 0.02 -0.00 0.01 -0.01 -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 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.00 0.01 0.50 -0.38 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 -0.01 -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 0.01 0.00 -0.00 0.11 0.12 -0.18 0.12 -0.06 -0.06 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.03 -0.01 -0.01 0.00 0.00 -0.00 0.15 -0.50 0.07 0.00 -0.00 -0.00 0.01 -0.01 0.01 0.00 -0.00 0.00 -0.01 -0.05 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.03 -0.06 0.00 -0.00 -0.05 0.00 -0.00 0.00 -0.00 -0.23 0.80 -0.10 -0.02 0.02 0.01 0.04 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 -0.00 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 0.03 0.07 0.03 0.03 -0.02 -0.01 0.01 0.02 0.01 0.03 -0.02 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 -0.01 -0.00 0.00 0.03 0.01 0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 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 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.06 0.05 -0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 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 -0.03 0.00 -0.00 0.00 0.73 -0.61 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 -0.04 0.03 -0.01 -0.03 -0.01 0.03 -0.01 -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 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 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 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 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 -0.03 0.00 -0.00 0.00 0.01 -0.01 0.00 0.04 -0.02 -0.03 -0.05 -0.04 0.00 -0.02 0.05 -0.03 -0.00 -0.00 0.00 -0.41 0.34 -0.16 0.50 0.09 -0.36 0.13 0.10 0.52 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -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 0.04 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 0.01 -0.02 0.01 0.01 0.03 0.01 -0.03 0.02 -0.00 0.00 -0.00 0.38 -0.21 -0.25 -0.46 -0.39 0.03 -0.17 0.50 -0.29 0.00 0.00 0.00 0.04 -0.03 0.02 -0.05 -0.01 0.03 -0.01 -0.01 -0.05 -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 0.01 -0.01 0.00 0.00 0.00 0.02 -0.07 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 0.01 -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 -0.07 0.14 -0.00 -0.00 -0.02 -0.28 0.83 -0.43 0.00 -0.00 0.00 0.05 -0.03 -0.04 -0.07 -0.06 0.00 0.02 -0.07 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 -0.01 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 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 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 0.01 -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 -0.01 -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 -0.01 0.58 -0.49 -0.08 -0.12 0.31 -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 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.02 -0.02 -0.01 -0.08 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 -0.00 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 0.01 0.12 -0.25 0.18 0.18 0.91 -0.02 0.06 -0.03 0.02 -0.02 0.01 -0.03 0.02 0.02 0.04 0.03 -0.00 -0.01 0.03 -0.02 -0.00 -0.00 0.00 -0.03 0.02 -0.01 0.05 0.01 -0.03 -0.01 -0.01 -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 0.03 -0.07 -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 -0.00 -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 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.40 0.84 0.06 0.05 0.26 0.03 -0.10 0.05 -0.00 0.00 0.00 -0.04 0.02 0.03 0.05 0.04 -0.00 -0.04 0.10 -0.06 0.00 0.00 -0.00 -0.05 0.04 -0.02 -0.01 -0.00 0.01 -0.01 -0.01 -0.05 -0.01 0.01 -0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -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 0.04 -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 0.01 -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 -0.03 -0.06 0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.38 0.64 -0.45 -0.03 0.07 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 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.06 0.02 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 -0.00 -0.01 0.03 -0.01 -0.01 -0.05 0.00 0.00 -0.00 0.03 -0.02 0.01 0.02 -0.01 -0.01 0.02 0.02 -0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.00 0.28 -0.25 0.13 0.62 0.12 -0.44 -0.14 -0.10 -0.46 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -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 0.01 -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 -0.08 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 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.04 -0.08 -0.02 -0.02 -0.09 -0.03 0.10 -0.06 -0.00 0.00 -0.00 0.08 -0.06 -0.05 0.56 0.46 -0.02 -0.20 0.53 -0.31 -0.00 -0.00 0.00 0.01 -0.01 0.00 -0.02 -0.00 0.02 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 0.01 -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 -0.08 0.04 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 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 0.05 0.01 0.01 0.06 0.02 -0.06 0.03 -0.00 0.00 -0.00 0.63 -0.35 -0.44 0.20 0.19 -0.01 0.11 -0.35 0.21 -0.00 -0.00 0.00 -0.04 0.04 -0.02 -0.01 -0.00 0.01 -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 -0.01 -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 0.00 0.00 -0.00 -0.00 0.00 -0.06 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 -0.03 0.07 0.02 0.02 0.08 0.00 -0.01 0.01 0.05 -0.04 0.02 0.04 -0.02 -0.03 0.00 0.00 -0.00 0.01 -0.04 0.02 0.00 0.00 -0.00 0.52 -0.45 0.20 0.03 0.01 -0.05 0.16 0.14 0.64 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 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 -0.05 0.07 -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 0.07 0.14 -0.05 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 0.01 0.48 -0.40 -0.08 0.15 -0.37 0.64 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.04 -0.07 0.02 -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 0.00 -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 0.44 0.83 -0.26 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 0.03 -0.02 -0.01 0.01 0.08 -0.06 0.05 0.01 -0.03 0.07 -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 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 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 -0.09 -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 -0.02 -0.05 0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.22 -0.36 0.24 -0.07 0.14 0.85 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.06 0.02 0.06 -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 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.68 -0.26 -0.66 0.05 -0.09 -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 -0.01 0.00 0.01 0.03 -0.06 -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 -0.00 0.00 0.00 0.00 0.00 0.09 -0.03 -0.09 -0.35 0.69 0.61 -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 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.80 0.16 -0.57 -0.00 -0.00 0.00 -0.00 -0.00 -0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:atomicNumber" size="42">16 8 8 8 8 7 7 7 7 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</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="42">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</array>
                        <array dataType="xsd:integer" dictRef="x:elementType" size="42">16 8 8 8 8 7 7 7 7 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</array>
                        <array dataType="xsd:double" dictRef="cc:atomicmass" size="42">31.97207 15.99491 15.99491 15.99491 15.99491 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 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">350.10488</scalar>
                     <matrix cols="3" dataType="xsd:double" dictRef="cc:moi.eigenvectors" rows="3">0.99835 -0.03343 0.04668 0.04288 0.9748 -0.21894 -0.03818 0.22058 0.97462</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">0.02417 0.00591 0.00533</array>
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.50370 0.12306 0.11113</array>
                     <scalar dataType="xsd:double" dictRef="cc:zpe" units="u:jmol-1">868928.4</scalar>
                     <array dataType="xsd:double" dictRef="cc:vibtemp" size="120">30.43 33.59 51.91 65.42 84.21 95.02 107.98 135.94 171.18 183.48 201.65 225.82 241.19 263.77 307.54 335.91 355.96 361.67 383.93 390.62 393.46 422.55 450.04 523.80 551.11 602.67 626.70 645.35 671.29 740.16 791.55 822.47 881.24 889.23 906.69 939.66 946.12 962.25 1002.97 1051.71 1091.55 1125.82 1157.89 1198.69 1216.87 1254.37 1265.12 1295.12 1297.01 1318.87 1333.85 1338.35 1380.00 1413.21 1420.77 1477.88 1495.06 1515.50 1526.20 1540.15 1569.52 1579.78 1615.38 1623.10 1643.20 1660.53 1676.93 1683.26 1720.11 1746.19 1758.89 1775.69 1812.10 1820.19 1822.04 1832.92 1844.12 1858.08 1873.84 1917.32 1921.92 1949.81 1973.22 1973.88 2002.02 2004.39 2013.81 2034.37 2042.77 2045.64 2083.73 2148.14 2155.24 2158.70 2162.33 2162.55 2168.13 2198.08 2238.27 2301.01 2464.12 2644.87 4308.79 4377.19 4377.66 4392.07 4405.92 4460.67 4468.59 4470.68 4479.42 4482.44 4490.97 4494.20 4508.42 4534.22 4571.45 4751.00 4769.24 5482.55</array>
                  </list>
               </property>
               <property dictRef="cc:zeropoint">
                  <list id="l716.zeropoint">
                     <scalar dataType="xsd:string" dictRef="cc:zpe.correction" units="nonsi:hartree">0.330957</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:zpe.thermalcorrener" units="nonsi:hartree">0.353425</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:zpe.thermalcorrenthalpy" units="nonsi:hartree">0.354369</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:zpe.thermalcorrgfe" units="nonsi:hartree">0.276834</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:zpe.sumelectzpe" units="nonsi:hartree">-1500.154388</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:zpe.sumelectthermal" units="nonsi:hartree">-1500.131920</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:zpe.sumelectthermalent" units="nonsi:hartree">-1500.130976</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:zpe.sumelectthermalfe" units="nonsi:hartree">-1500.208511</scalar>
                  </list>
               </property>
               <property>
                  <module cmlx:templateRef="l716.thermoprops">
                     <list cmlx:templateRef="total">
                        <scalar dataType="xsd:double" dictRef="cc:ethermo.total">221.778</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:cv.total">83.604</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:s.total">163.187</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">43.453</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">35.100</scalar>
                     </list>
                     <list cmlx:templateRef="vib">
                        <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">220.000</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:cv.vib">77.643</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:s.vob">84.634</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">1.985</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">6.523</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">1.985</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">6.327</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">3</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.594</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.982</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">5.463</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">4</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.595</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.979</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">5.005</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">5</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.596</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.974</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">4.506</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">6</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.597</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.970</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">4.268</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">7</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.599</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.966</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">4.016</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">8</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.603</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.953</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">3.565</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">9</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.609</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.934</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">3.117</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">10</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.611</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.926</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">2.983</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">11</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.615</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.913</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">2.802</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">12</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.621</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.895</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">2.586</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">13</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.624</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.882</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">2.462</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">14</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.631</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.863</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">2.294</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">15</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.644</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.820</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">2.011</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">16</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.654</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.790</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.852</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">17</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.661</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.767</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.749</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">18</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.663</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.760</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.721</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">19</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.672</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.734</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.617</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">20</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.675</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.726</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.587</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">21</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.676</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.722</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.574</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">22</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.688</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.686</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.453</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">23</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">1.348</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">24</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.738</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.546</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.105</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">25</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.752</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.506</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">1.027</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">26</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.782</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.429</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.896</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">27</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.796</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.393</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.841</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">28</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.808</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.364</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.800</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">29</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.824</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.324</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.747</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">30</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.869</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.218</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.623</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">31</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.905</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.139</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.544</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">32</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.928</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.093</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.501</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">33</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.972</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">1.005</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.429</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:integer" dictRef="g:nvib">34</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:ethermo.vib">0.978</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:cv.vib">0.994</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:s.vob">0.420</scalar>
                        </list>
                     </list>
                     <list cmlx:templateRef="totalv0">
                        <scalar dataType="xsd:double" dictRef="cc:q.v0">0.785178e+25</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:logq.v0">24.894968</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:lnq.v0">57.322783</scalar>
                     </list>
                     <list cmlx:templateRef="vibv0">
                        <scalar dataType="xsd:double" dictRef="cc:q.vibv0">0.291622e+10</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:logq.vibv0">9.464821</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:lnq.vibv0">21.793555</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">0.257485e+09</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:logq.trans">8.410751</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:lnq.trans">19.366470</scalar>
                     </list>
                     <list cmlx:templateRef="rot">
                        <scalar dataType="xsd:double" dictRef="cc:q.rot">0.104567e+08</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:logq.rot">7.019397</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:lnq.rot">16.162758</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">11.0939 -19.4692 2.5171</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">22.5491</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-69.9266 -166.0310 -139.6278</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-3.7582 -3.7545 3.1766</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">55.2686 -40.8359 -14.4327 -3.7582 -3.7545 3.1766</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">102.9921 -47.2721 35.4788 43.0227 -165.3658 17.5447 4.2271 15.6556 26.2394 11.5425</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-7446.7555 -2101.7150 -886.5073 -427.7094 -428.8773 -253.7249 -80.7123 101.5530 -134.4700 -1944.6059 -1478.0888 -476.1321 -20.4763 41.3656 -54.7710</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">-1500.4853451</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsd" units="nonsi:unknown">8.162E-9</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsf" units="nonsi:unknown">2.967E-6</scalar>
                  <scalar dataType="xsd:string" dictRef="x:ZeroPoint">0.3309574</scalar>
                  <scalar dataType="xsd:string" dictRef="x:Thermal">0.3534251</scalar>
                  <scalar dataType="xsd:string" dictRef="x:Quadrupole">41.0908402,-30.3604862,-10.730354,-2.7940962,-2.7913799,2.3616985</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:pointgroup">C01 [X(C15H18N4O4S1)]</scalar>
                  <array dataType="xsd:double" dictRef="cc:dipole" size="3" units="nonsi:debye">4.3646667 -7.6597852 0.9903206</array>
                  <array dataType="xsd:double" dictRef="cc:dipolederiv" size="378" units="nonsi:unknown">0.0607856 -0.2663171 -0.1294709 -0.1473839 -0.1420697 -0.0736793 -0.1761312 0.0819034 0.109254 -1.0099744 0.3997771 -0.0211667 0.939532 -1.8544232 0.043837 -0.2086841 0.1499845 -0.4192744 -0.5134622 -0.0095202 -0.0703073 -0.0131026 -0.7145914 -0.1659315 0.0015994 -0.1526581 -1.1311829 -0.8779119 0.0291804 -0.2568558 0.2559924 -1.5960731 0.3565281 -0.3975951 0.4540645 -0.8936649 -1.4359848 -0.0609339 -0.640833 -0.018327 -1.1131978 -0.0995507 -0.6893112 0.1039141 -1.0171199 -2.5978126 0.8886812 0.3081817 0.3387864 -0.8431043 -0.1378977 -0.3552104 0.0811818 -0.4270708 -0.146722 -0.208031 -0.1227969 -0.2514597 -0.6844512 -0.130125 -0.1173594 -0.1620342 -0.0457619 -0.5253614 -0.3307934 0.1601597 -0.2404427 -0.119213 0.1443896 0.119017 0.1730718 -0.1659154 -0.6803926 0.0040967 0.1679535 -0.0994037 -0.6608701 -0.1843499 0.2124767 -0.1633756 -0.5756212 0.0847369 0.030872 -0.0696662 0.0071967 0.3304894 -0.0609936 -0.0612498 -0.1068442 0.2698146 -0.1544916 -0.0958499 0.0527114 -0.1620786 -0.2826982 0.0166926 0.1375078 -0.1498716 0.0319353 -0.0182916 0.0533921 0.1504147 0.0867203 0.2073845 -0.0076015 0.2175246 -0.1104443 0.1835819 2.3203549 -0.8474424 0.1575769 -1.266872 2.37358 -0.0171656 0.6537194 -0.2461402 0.3585972 -0.1811576 0.2454146 -0.121603 0.5243762 -0.4437042 -0.0496073 0.1621135 -0.1651454 -0.4374407 1.2108212 -0.5384903 -0.474 -0.5304289 0.424302 0.269311 -0.4797076 0.2551392 0.3124381 0.6058735 0.0825578 0.0405276 0.0298199 0.5908867 0.1219755 -0.1092928 0.0912615 0.9832867 0.0811107 -0.0639154 -0.0201898 -0.0162513 0.0506354 -0.073414 -0.0007145 0.0337516 0.0522444 0.1346899 0.0037521 0.3556668 -0.102162 0.1353325 -0.0842154 0.3475307 -0.1018317 0.1865446 0.0205038 -0.0789934 -0.0196419 -0.0365422 -0.0724943 -0.0773505 0.111065 0.0157962 0.0414729 0.2699624 0.2380698 0.1173984 0.2638321 0.5350857 0.0607362 -0.105531 0.1280361 0.2148586 0.342189 0.2898375 -0.1025259 0.4509767 0.1426422 -0.1107696 -0.0739101 -0.1067669 0.1712863 1.4899637 0.143566 0.9314069 0.0745897 1.9018828 -0.256619 1.1483188 -0.561975 1.1002151 0.4141734 0.2101202 -0.0153701 0.1126644 0.6602349 0.2246835 -0.1425597 0.0941274 0.3087338 0.6463971 0.0188295 -0.2350583 0.2802998 0.4298194 -0.0067918 -0.1430104 0.0524772 0.3291039 0.0492432 0.0247263 0.0135231 -0.0389392 -0.022939 0.0727817 0.0260183 0.087228 -0.1104056 0.0561505 -0.0267334 -0.0298469 -0.0480485 0.0776538 -0.0109107 -0.0479362 0.0027471 -0.0520073 0.0136824 0.0263378 -0.0641064 0.0324854 -0.1720749 0.044602 -0.0462308 0.0865595 -0.0289094 -0.195293 0.0886522 -0.0649894 0.1254949 -0.115799 0.0472665 -0.0012521 0.0345411 -0.0818263 -0.0360599 0.0993228 0.110687 0.0857846 0.0465489 -0.0532021 0.0799243 -0.0625783 -0.0184924 -0.0899676 -0.1664273 -0.0462751 -0.1239873 -0.0448729 -0.0088206 -0.0071369 -0.0436028 0.0157781 0.0375614 0.0375699 -0.062278 0.0777411 -0.1013226 0.1102505 -0.0511146 0.0537871 -0.0033004 0.0131353 -0.0332843 -0.0561785 -0.0196329 -0.0113777 0.0706776 -0.0968505 0.0898909 -0.0046031 -0.0556795 0.1203888 -0.0547234 0.0772646 -0.0402401 0.0261607 -0.0593959 0.0490538 0.0603012 -0.1186249 -0.0567664 0.1253544 -0.0791436 0.0142121 0.0105704 0.1397763 0.0302009 -0.0186584 0.0718216 -0.0185679 -0.0485126 -0.0118381 0.0356294 -0.0306512 -0.0669017 -0.0605737 -0.1419921 -0.0875365 0.0278974 -0.0587541 -0.0327359 -0.0096774 -0.0057654 -0.0401172 0.0340855 0.0700888 0.1124321 -0.0453128 0.0118874 -0.074186 0.0738793 0.0266242 0.0383456 -0.0439507 0.0156215 0.2287161 -0.1375805 0.0594603 -0.2526644 0.2606581 -0.077351 0.098491 -0.0152053 0.1336375 -0.0466458 -0.014764 -0.0910181 -0.1207484 0.0432203 0.0537214 -0.0781638 0.0588751 -0.0406233 0.1750447 -0.0570938 0.0745923 -0.063509 0.4016333 0.0387685 0.0220187 0.0222569 0.3366845 0.1717576 0.0039 0.0036725 -0.0121824 0.1319879 -0.0221032 -0.0043569 -0.0297485 0.1573455 0.1602374 -0.010122 0.0350023 -0.0014832 0.1774881 0.0052839 0.044289 0.0188068 0.1710361</array>
                  <array dataType="xsd:double" delimiter="|" dictRef="cc:polarizability" size="6" units="nonsi:unknown">327.291332|-11.5250598|273.0424603|-13.4005574|14.785825|211.1832396</array>
               </module>
            </module>
            <molecule formalCharge="0" id="mol9999" spinMultiplicity="1">
               <atomArray>
                  <atom elementType="S" id="a1" x3="1.38579272" y3="-0.9249022" z3="-1.38395742">
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.42" size="3">-0.000000141 -0.000003640 0.000000534</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.43" size="3">0.000000053 -0.000000399 -0.000007122</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.44" size="3">0.000000179 0.000005412 -0.000000392</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.45" size="3">-0.000000141 -0.000002087 -0.000009054</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.46" size="3">-0.000000034 0.000001980 -0.000006932</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.47" size="3">0.000000093 0.000000976 -0.000002991</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.48" size="3">-0.000000011 -0.000000257 -0.000000336</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.49" size="3">-0.000000051 0.000002034 -0.000002104</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.50" size="3">0.000000111 0.000000442 -0.000005688</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.51" size="3">0.000000094 0.000000748 0.000000890</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.52" size="3">0.000000024 -0.000000453 -0.000000357</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.53" size="3">-0.000000138 -0.000001786 0.000002745</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.54" size="3">0.000000004 -0.000000238 -0.000004129</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.55" size="3">-0.000000070 -0.000001740 -0.000000140</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.56" size="3">-0.000000242 -0.000000303 -0.000002979</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.57" size="3">0.000000020 0.000001700 0.000000584</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.58" size="3">-0.000000178 -0.000005448 0.000003677</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.59" size="3">0.000000124 -0.000000051 0.000002758</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.60" size="3">0.000000073 0.000001390 0.000004372</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.61" size="3">-0.000000194 -0.000001412 0.000003029</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.62" size="3">0.000000173 0.000002999 -0.000000081</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.63" size="3">0.000000102 -0.000000028 -0.000006959</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.64" size="3">0.000000145 -0.000001052 -0.000002503</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.65" size="3">0.000000017 0.000002546 -0.000005179</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.66" size="3">0.000000109 0.000003337 0.000002208</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.67" size="3">-0.000000106 -0.000003233 0.000000143</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.68" size="3">0.000000001 -0.000000462 0.000005169</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.69" size="3">0.000000027 0.000000847 -0.000001208</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.70" size="3">-0.000000248 -0.000007001 0.000004780</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.71" size="3">-0.000000194 -0.000005425 0.000005589</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.72" size="3">-0.000000250 -0.000006907 0.000001309</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.73" size="3">0.000000018 0.000000777 0.000005040</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.74" size="3">0.000000085 0.000002205 0.000006130</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.75" size="3">0.000000107 0.000003025 0.000004929</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.76" size="3">-0.000000047 -0.000001349 0.000004997</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.77" size="3">0.000000029 0.000000153 0.000005137</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.78" size="3">-0.000000149 -0.000004148 0.000003497</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.79" size="3">0.000000200 0.000003449 -0.000001800</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.80" size="3">0.000000190 0.000005575 0.000001358</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.81" size="3">0.000000277 0.000006692 0.000000148</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.82" size="3">-0.000000157 -0.000003191 -0.000001840</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.83" size="3">0.000000097 0.000004323 -0.000007225</array>
                     </property>
                  </atom>
                  <atom elementType="O" id="a2" x3="-3.45363809" y3="2.17733148" z3="-0.16480603"/>
                  <atom elementType="O" id="a3" x3="-4.62720463" y3="-0.34280789" z3="2.04617003"/>
                  <atom elementType="O" id="a4" x3="-0.24009313" y3="2.82745187" z3="-0.75052088"/>
                  <atom elementType="O" id="a5" x3="1.1832618" y3="1.94070581" z3="0.77521306"/>
                  <atom elementType="N" id="a6" x3="-1.86187229" y3="0.47999982" z3="0.40553779"/>
                  <atom elementType="N" id="a7" x3="4.44862365" y3="-0.6699299" z3="-0.12535197"/>
                  <atom elementType="N" id="a8" x3="3.72774424" y3="0.00691833" z3="0.79957728"/>
                  <atom elementType="N" id="a9" x3="5.44018985" y3="1.26069965" z3="0.22804288"/>
                  <atom elementType="C" id="a10" x3="-2.35273838" y3="-0.92421122" z3="0.29860437"/>
                  <atom elementType="C" id="a11" x3="-3.73529821" y3="-0.35932057" z3="-0.15090196"/>
                  <atom elementType="C" id="a12" x3="-1.33228296" y3="-1.6363781" z3="-0.63158902"/>
                  <atom elementType="C" id="a13" x3="-3.08987711" y3="1.03562329" z3="-0.00438248"/>
                  <atom elementType="C" id="a14" x3="-0.17925536" y3="-0.61468811" z3="-0.62154941"/>
                  <atom elementType="C" id="a15" x3="-0.54709403" y3="0.58656623" z3="-0.10553539"/>
                  <atom elementType="C" id="a16" x3="-4.96998935" y3="-0.65855137" z3="0.69314084"/>
                  <atom elementType="C" id="a17" x3="-1.81537944" y3="-1.96531734" z3="-2.05193962"/>
                  <atom elementType="C" id="a18" x3="2.35173984" y3="-1.69583748" z3="0.0096889"/>
                  <atom elementType="C" id="a19" x3="-5.43785632" y3="-2.10718051" z3="0.55351573"/>
                  <atom elementType="C" id="a20" x3="3.79739765" y3="-1.94513757" z3="-0.48086765"/>
                  <atom elementType="C" id="a21" x3="2.5191479" y3="-0.73063267" z3="1.20153336"/>
                  <atom elementType="C" id="a22" x3="0.20933163" y3="1.91506266" z3="-0.02539751"/>
                  <atom elementType="C" id="a23" x3="5.482823" y3="0.10964048" z3="-0.45429939"/>
                  <atom elementType="C" id="a24" x3="4.33718231" y3="1.17570712" z3="0.98754384"/>
                  <atom elementType="H" id="a25" x3="-2.39314995" y3="-1.39528109" z3="1.28304892"/>
                  <atom elementType="H" id="a26" x3="-3.95487712" y3="-0.55394649" z3="-1.20494951"/>
                  <atom elementType="H" id="a27" x3="-1.02063052" y3="-2.57280891" z3="-0.15552914"/>
                  <atom elementType="H" id="a28" x3="-5.77131603" y3="0.01231229" z3="0.34590962"/>
                  <atom elementType="H" id="a29" x3="-1.00636599" y3="-2.42406118" z3="-2.6280536"/>
                  <atom elementType="H" id="a30" x3="-2.65291364" y3="-2.67035855" z3="-2.02758949"/>
                  <atom elementType="H" id="a31" x3="-2.13561097" y3="-1.06623498" z3="-2.58817977"/>
                  <atom elementType="H" id="a32" x3="1.87580426" y3="-2.6266142" z3="0.31638031"/>
                  <atom elementType="H" id="a33" x3="-4.65153702" y3="-2.80201071" z3="0.86519604"/>
                  <atom elementType="H" id="a34" x3="-6.31915996" y3="-2.28594371" z3="1.178796"/>
                  <atom elementType="H" id="a35" x3="-5.71207417" y3="-2.33182675" z3="-0.48212609"/>
                  <atom elementType="H" id="a36" x3="4.28076645" y3="-2.75626711" z3="0.06824473"/>
                  <atom elementType="H" id="a37" x3="3.88819083" y3="-2.11826163" z3="-1.5528502"/>
                  <atom elementType="H" id="a38" x3="1.71250768" y3="-0.00185293" z3="1.31956265"/>
                  <atom elementType="H" id="a39" x3="2.72947358" y3="-1.26472784" z3="2.13246288"/>
                  <atom elementType="H" id="a40" x3="-5.40757114" y3="-0.50464809" z3="2.59374479"/>
                  <atom elementType="H" id="a41" x3="6.22708749" y3="-0.17972742" z3="-1.18086381"/>
                  <atom elementType="H" id="a42" x3="3.95322095" y3="1.93064749" z3="1.65552632"/>
               </atomArray>
               <bondArray/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">332.2498999999998</scalar>
               </property>
            <formula convention="iupac:inchi" inline="InChI=1/15C.4N.4O.S.18H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;6;7;8;9;2;3;4;5;1;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42nS0O0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.3858,-.9249,-1.384;-3.4536,2.1773,-.1648;-4.6272,-.3428,2.0462;-.2401,2.8275,-.7505;1.1833,1.9407,.7752;-1.8619,.48,.4055;4.4486,-.6699,-.1254;3.7277,.0069,.7996;5.4402,1.2607,.228;-2.3527,-.9242,.2986;-3.7353,-.3593,-.1509;-1.3323,-1.6364,-.6316;-3.0899,1.0356,-.0044;-.1793,-.6147,-.6215;-.5471,.5866,-.1055;-4.97,-.6586,.6931;-1.8154,-1.9653,-2.0519;2.3517,-1.6958,.0097;-5.4379,-2.1072,.5535;3.7974,-1.9451,-.4809;2.5191,-.7306,1.2015;.2093,1.9151,-.0254;5.4828,.1096,-.4543;4.3372,1.1757,.9875;-2.3931,-1.3953,1.283;-3.9549,-.5539,-1.2049;-1.0206,-2.5728,-.1555;-5.7713,.0123,.3459;-1.0064,-2.4241,-2.6281;-2.6529,-2.6704,-2.0276;-2.1356,-1.0662,-2.5882;1.8758,-2.6266,.3164;-4.6515,-2.802,.8652;-6.3192,-2.2859,1.1788;-5.7121,-2.3318,-.4821;4.2808,-2.7563,.0682;3.8882,-2.1183,-1.5529;1.7125,-.0019,1.3196;2.7295,-1.2647,2.1325;-5.4076,-.5046,2.5937;6.2271,-.1797,-1.1809;3.9532,1.9306,1.6555;</scalar>
</formula>
</molecule>
         </module>
      </module>
   </module>
</module>
